N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide

C99H98N18O10S10 — CID 158680409

About N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide

N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide (PubChem CID 158680409) has the molecular formula C99H98N18O10S10 and a molecular weight of 2020.66 g/mol. Its IUPAC name is N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
• PubChem CID: 158680409
• Molecular Formula: C99H98N18O10S10
• Molecular Weight: 2020.66 g/mol
• Exact Mass: 2018.49
• IUPAC Name: N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
• SMILES: CC1CCN(C(=O)c2ccsc2NC(=O)c2nc3ccccc3s2)CC1.CCN1CCN(C(=O)c2ccsc2NC(=O)c2nc3ccccc3s2)CC1.CN1CCC(NC(=O)c2ccsc2NC(=O)c2nc3ccccc3s2)CC1.O=C(Nc1sccc1C(=O)N1CCN(c2ccccc2)CC1)c1nc2ccccc2s1.O=C(Nc1sccc1C(=O)NC1CCCCC1)c1nc2ccccc2s1
• InChI: InChI=1S/C23H20N4O2S2.2C19H20N4O2S2.2C19H19N3O2S2/c28-20(22-24-18-8-4-5-9-19(18)31-22)25-21-17(10-15-30-21)23(29)27-13-11-26(12-14-27)16-6-2-1-3-7-16;1-23-9-6-12(7-10-23)20-16(24)13-8-11-26-18(13)22-17(25)19-21-14-4-2-3-5-15(14)27-19;1-2-22-8-10-23(11-9-22)19(25)13-7-12-26-17(13)21-16(24)18-20-14-5-3-4-6-15(14)27-18;1-12-6-9-22(10-7-12)19(24)13-8-11-25-17(13)21-16(23)18-20-14-4-2-3-5-15(14)26-18;23-16(20-12-6-2-1-3-7-12)13-10-11-25-18(13)22-17(24)19-21-14-8-4-5-9-15(14)26-19/h1-10,15H,11-14H2,(H,25,28);2-5,8,11-12H,6-7,9-10H2,1H3,(H,20,24)(H,22,25);3-7,12H,2,8-11H2,1H3,(H,21,24);2-5,8,11-12H,6-7,9-10H2,1H3,(H,21,23);4-5,8-12H,1-3,6-7H2,(H,20,23)(H,22,24)
• InChIKey: IFAZWCPVTDLDNB-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 338.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2020.66
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide?

The IUPAC name of N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide (CID 158680409) is N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide.

What is the SMILES notation for N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide?

The canonical SMILES for N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide is CC1CCN(C(=O)c2ccsc2NC(=O)c2nc3ccccc3s2)CC1.CCN1CCN(C(=O)c2ccsc2NC(=O)c2nc3ccccc3s2)CC1.CN1CCC(NC(=O)c2ccsc2NC(=O)c2nc3ccccc3s2)CC1.O=C(Nc1sccc1C(=O)N1CCN(c2ccccc2)CC1)c1nc2ccccc2s1.O=C(Nc1sccc1C(=O)NC1CCCCC1)c1nc2ccccc2s1.

What is the InChIKey of N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide?

The InChIKey is IFAZWCPVTDLDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S2.2C19H20N4O2S2.2C19H19N3O2S2/c28-20(22-24-18-8-4-5-9-19(18)31-22)25-21-17(10-15-30-21)23(29)27-13-11-26(12-14-27)16-6-2-1-3-7-16;1-23-9-6-12(7-10-23)20-16(24)13-8-11-26-18(13)22-17(25)19-21-14-4-2-3-5-15(14)27-19;1-2-22-8-10-23(11-9-22)19(25)13-7-12-26-17(13)21-16(24)18-20-14-5-3-4-6-15(14)27-18;1-12-6-9-22(10-7-12)19(24)13-8-11-25-17(13)21-16(23)18-20-14-4-2-3-5-15(14)26-18;23-16(20-12-6-2-1-3-7-12)13-10-11-25-18(13)22-17(24)19-21-14-8-4-5-9-15(14)26-19/h1-10,15H,11-14H2,(H,25,28);2-5,8,11-12H,6-7,9-10H2,1H3,(H,20,24)(H,22,25);3-7,12H,2,8-11H2,1H3,(H,21,24);2-5,8,11-12H,6-7,9-10H2,1H3,(H,21,23);4-5,8-12H,1-3,6-7H2,(H,20,23)(H,22,24).

What are the key properties of N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide?

N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 2020.66 g/mol, XLogP of 20.55, 19 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(cyclohexylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-ethylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-[(1-methylpiperidin-4-yl)carbamoyl]thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;N-[3-(4-phenylpiperazine-1-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 158680409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).