2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide

C30H32Cl2N4OS — CID 44534588

IUPAC2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1csc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C30H32Cl2N4OS/c31-25-6-3-5-23(28(25)32)30-35-27(18-38-30)29(37)34-21-10-8-19(9-11-21)17-36-14-12-20(13-15-36)24-16-33-26-7-2-1-4-22(24)26/h1-7,16,18-21,33H,8-15,17H2,(H,34,37)
InChIKeyHCGDZADTQBAXJR-UHFFFAOYSA-N
MW567.59 g/mol
LogP7.77
Rot. Bonds6

About 2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide

2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide (PubChem CID 44534588) has the molecular formula C30H32Cl2N4OS and a molecular weight of 567.59 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide
PubChem CID44534588
Molecular FormulaC30H32Cl2N4OS
Molecular Weight567.59 g/mol
Exact Mass566.17
IUPAC Name2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1csc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C30H32Cl2N4OS/c31-25-6-3-5-23(28(25)32)30-35-27(18-38-30)29(37)34-21-10-8-19(9-11-21)17-36-14-12-20(13-15-36)24-16-33-26-7-2-1-4-22(24)26/h1-7,16,18-21,33H,8-15,17H2,(H,34,37)
InChIKeyHCGDZADTQBAXJR-UHFFFAOYSA-N
XLogP7.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.59
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide (CID 44534588) is 2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide is O=C(NC1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1csc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HCGDZADTQBAXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N4OS/c31-25-6-3-5-23(28(25)32)30-35-27(18-38-30)29(37)34-21-10-8-19(9-11-21)17-36-14-12-20(13-15-36)24-16-33-26-7-2-1-4-22(24)26/h1-7,16,18-21,33H,8-15,17H2,(H,34,37).
What are the key properties of 2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide?
2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide has a molecular weight of 567.59 g/mol, XLogP of 7.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44534588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).