N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide

C26H31Cl2N3OS — CID 10074848

IUPACN-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2csc(-c3ccc(Cl)cc3Cl)n2)n(CC2CCCCC2)c1C
InChIInChI=1S/C26H31Cl2N3OS/c1-3-4-12-29-25(32)21-14-24(31(17(21)2)15-18-8-6-5-7-9-18)23-16-33-26(30-23)20-11-10-19(27)13-22(20)28/h10-11,13-14,16,18H,3-9,12,15H2,1-2H3,(H,29,32)
InChIKeyYBKUOPIOSTYFBS-UHFFFAOYSA-N
MW504.53 g/mol
LogP8.00
Rot. Bonds8

About N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide

N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide (PubChem CID 10074848) has the molecular formula C26H31Cl2N3OS and a molecular weight of 504.53 g/mol. Its IUPAC name is N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
PubChem CID10074848
Molecular FormulaC26H31Cl2N3OS
Molecular Weight504.53 g/mol
Exact Mass503.16
IUPAC NameN-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2csc(-c3ccc(Cl)cc3Cl)n2)n(CC2CCCCC2)c1C
InChIInChI=1S/C26H31Cl2N3OS/c1-3-4-12-29-25(32)21-14-24(31(17(21)2)15-18-8-6-5-7-9-18)23-16-33-26(30-23)20-11-10-19(27)13-22(20)28/h10-11,13-14,16,18H,3-9,12,15H2,1-2H3,(H,29,32)
InChIKeyYBKUOPIOSTYFBS-UHFFFAOYSA-N
XLogP8.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.53
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-1-(cyclohexylmethyl)-5-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 10004068
N-butyl-5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-cyclohexyl-2-methylpyrrole-3-carboxamide
CID 58740306
N-butyl-5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 5009040
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)-1-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide
CID 3834283
1-(cyclohexylmethyl)-5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3765067
butanamide;5-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxylic acid
CID 161041506
N-butyl-1-(cyclohexylmethyl)-5-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 10022081
1-(cyclohexylmethyl)-N-(2-ethylhexyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3828837
1-(cyclohexylmethyl)-N-(3,4-dichlorophenyl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 58740241
N-butyl-1-(cyclohexylmethyl)-5-[4-(diethylamino)phenyl]-2-methylpyrrole-3-carboxamide
CID 58998936
1-(cyclohexylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081994
ethyl 4-[4-(butylcarbamoyl)-5-methyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate
CID 5010949

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide?
The IUPAC name of N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide (CID 10074848) is N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide?
The canonical SMILES for N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide is CCCCNC(=O)c1cc(-c2csc(-c3ccc(Cl)cc3Cl)n2)n(CC2CCCCC2)c1C.
What is the InChIKey of N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide?
The InChIKey is YBKUOPIOSTYFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2N3OS/c1-3-4-12-29-25(32)21-14-24(31(17(21)2)15-18-8-6-5-7-9-18)23-16-33-26(30-23)20-11-10-19(27)13-22(20)28/h10-11,13-14,16,18H,3-9,12,15H2,1-2H3,(H,29,32).
What are the key properties of N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide?
N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide has a molecular weight of 504.53 g/mol, XLogP of 8.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(cyclohexylmethyl)-5-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 10074848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).