N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

C156H230N30O12S6 — CID 159348342

About N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide

N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide (PubChem CID 159348342) has the molecular formula C156H230N30O12S6 and a molecular weight of 2910.16 g/mol. Its IUPAC name is N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
• PubChem CID: 159348342
• Molecular Formula: C156H230N30O12S6
• Molecular Weight: 2910.16 g/mol
• Exact Mass: 2907.66
• IUPAC Name: N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
• SMILES: CCCCCCc1ccc(OC)c(-c2csc(NC(=O)N3CCN(CCN4CCCC4)CC3)n2)c1.CCCCc1ccc(OCC)c(-c2csc(NC(=O)N3CCN(CCN4CCCC4)CC3)n2)c1.CCOc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)N2CCN(CCN3CCCC3)CC2)n1.CCOc1ccc(CC)cc1-c1csc(NC(=O)N2CCN(CCN3CCCC3)CC2)n1.CCc1ccc(OC)c(-c2csc(NC(=O)N3CCN(CCN4CCCC4)CC3)n2)c1.COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)N2CCN(CC3CCCN(C)C3)CC2)n1
• InChI: InChI=1S/2C28H41N5O2S.C27H41N5O2S.C26H39N5O2S.C24H35N5O2S.C23H33N5O2S/c1-31-12-6-7-21(18-31)19-32-13-15-33(16-14-32)28(34)30-27-29-25(20-36-27)24-17-23(10-11-26(24)35-2)22-8-4-3-5-9-22;1-2-35-26-11-10-23(22-8-4-3-5-9-22)20-24(26)25-21-36-27(29-25)30-28(34)33-18-16-32(17-19-33)15-14-31-12-6-7-13-31;1-3-4-5-6-9-22-10-11-25(34-2)23(20-22)24-21-35-26(28-24)29-27(33)32-18-16-31(17-19-32)15-14-30-12-7-8-13-30;1-3-5-8-21-9-10-24(33-4-2)22(19-21)23-20-34-25(27-23)28-26(32)31-17-15-30(16-18-31)14-13-29-11-6-7-12-29;1-3-19-7-8-22(31-4-2)20(17-19)21-18-32-23(25-21)26-24(30)29-15-13-28(14-16-29)12-11-27-9-5-6-10-27;1-3-18-6-7-21(30-2)19(16-18)20-17-31-22(24-20)25-23(29)28-14-12-27(13-15-28)11-10-26-8-4-5-9-26/h10-11,17,20-22H,3-9,12-16,18-19H2,1-2H3,(H,29,30,34);10-11,20-22H,2-9,12-19H2,1H3,(H,29,30,34);10-11,20-21H,3-9,12-19H2,1-2H3,(H,28,29,33);9-10,19-20H,3-8,11-18H2,1-2H3,(H,27,28,32);7-8,17-18H,3-6,9-16H2,1-2H3,(H,25,26,30);6-7,16-17H,3-5,8-15H2,1-2H3,(H,24,25,29)
• InChIKey: LGZYDRXCZQSURD-UHFFFAOYSA-N
• XLogP: 28.49
• TPSA: 365.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 50
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2910.16
LogP ≤ 5	28.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?

The IUPAC name of N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide (CID 159348342) is N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide.

What is the SMILES notation for N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?

The canonical SMILES for N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide is CCCCCCc1ccc(OC)c(-c2csc(NC(=O)N3CCN(CCN4CCCC4)CC3)n2)c1.CCCCc1ccc(OCC)c(-c2csc(NC(=O)N3CCN(CCN4CCCC4)CC3)n2)c1.CCOc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)N2CCN(CCN3CCCC3)CC2)n1.CCOc1ccc(CC)cc1-c1csc(NC(=O)N2CCN(CCN3CCCC3)CC2)n1.CCc1ccc(OC)c(-c2csc(NC(=O)N3CCN(CCN4CCCC4)CC3)n2)c1.COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)N2CCN(CC3CCCN(C)C3)CC2)n1.

What is the InChIKey of N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?

The InChIKey is LGZYDRXCZQSURD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H41N5O2S.C27H41N5O2S.C26H39N5O2S.C24H35N5O2S.C23H33N5O2S/c1-31-12-6-7-21(18-31)19-32-13-15-33(16-14-32)28(34)30-27-29-25(20-36-27)24-17-23(10-11-26(24)35-2)22-8-4-3-5-9-22;1-2-35-26-11-10-23(22-8-4-3-5-9-22)20-24(26)25-21-36-27(29-25)30-28(34)33-18-16-32(17-19-33)15-14-31-12-6-7-13-31;1-3-4-5-6-9-22-10-11-25(34-2)23(20-22)24-21-35-26(28-24)29-27(33)32-18-16-31(17-19-32)15-14-30-12-7-8-13-30;1-3-5-8-21-9-10-24(33-4-2)22(19-21)23-20-34-25(27-23)28-26(32)31-17-15-30(16-18-31)14-13-29-11-6-7-12-29;1-3-19-7-8-22(31-4-2)20(17-19)21-18-32-23(25-21)26-24(30)29-15-13-28(14-16-29)12-11-27-9-5-6-10-27;1-3-18-6-7-21(30-2)19(16-18)20-17-31-22(24-20)25-23(29)28-14-12-27(13-15-28)11-10-26-8-4-5-9-26/h10-11,17,20-22H,3-9,12-16,18-19H2,1-2H3,(H,29,30,34);10-11,20-22H,2-9,12-19H2,1H3,(H,29,30,34);10-11,20-21H,3-9,12-19H2,1-2H3,(H,28,29,33);9-10,19-20H,3-8,11-18H2,1-2H3,(H,27,28,32);7-8,17-18H,3-6,9-16H2,1-2H3,(H,25,26,30);6-7,16-17H,3-5,8-15H2,1-2H3,(H,24,25,29).

What are the key properties of N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide?

N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 2910.16 g/mol, XLogP of 28.49, 50 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide;N-[4-(5-hexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 159348342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).