5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide

C25H20ClN3OS3 — CID 134082676

IUPAC5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NCc2cccs2)cc(-c2csc(-c3ccccc3Cl)n2)n1Cc1cccs1
InChIInChI=1S/C25H20ClN3OS3/c1-16-20(24(30)27-13-17-6-4-10-31-17)12-23(29(16)14-18-7-5-11-32-18)22-15-33-25(28-22)19-8-2-3-9-21(19)26/h2-12,15H,13-14H2,1H3,(H,27,30)
InChIKeyPMPCGRCWRAQTAB-UHFFFAOYSA-N
MW510.11 g/mol
LogP7.34
Rot. Bonds7

About 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide

5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 134082676) has the molecular formula C25H20ClN3OS3 and a molecular weight of 510.11 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID134082676
Molecular FormulaC25H20ClN3OS3
Molecular Weight510.11 g/mol
Exact Mass509.05
IUPAC Name5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)NCc2cccs2)cc(-c2csc(-c3ccccc3Cl)n2)n1Cc1cccs1
InChIInChI=1S/C25H20ClN3OS3/c1-16-20(24(30)27-13-17-6-4-10-31-17)12-23(29(16)14-18-7-5-11-32-18)22-15-33-25(28-22)19-8-2-3-9-21(19)26/h2-12,15H,13-14H2,1H3,(H,27,30)
InChIKeyPMPCGRCWRAQTAB-UHFFFAOYSA-N
XLogP7.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.11
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 3854725
2-methyl-N-(pyridin-3-ylmethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 134082665
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)-1-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide
CID 3834283
N-(2-methoxyethyl)-2-methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 3734919
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-2-methyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
CID 3482177
N-(2-ethylhexyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 3705177
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-N-(2-piperidin-1-ylethyl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 134082682
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-(3-methoxypropyl)-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 3746651
N-(2-ethylhexyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 3687242
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(furan-2-yl)-N-(2-methoxyethyl)-2-methylpyrrole-3-carboxamide
CID 58740433
N-butyl-5-[2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]-2-methyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 3820670

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide (CID 134082676) is 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide is Cc1c(C(=O)NCc2cccs2)cc(-c2csc(-c3ccccc3Cl)n2)n1Cc1cccs1.
What is the InChIKey of 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is PMPCGRCWRAQTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3OS3/c1-16-20(24(30)27-13-17-6-4-10-31-17)12-23(29(16)14-18-7-5-11-32-18)22-15-33-25(28-22)19-8-2-3-9-21(19)26/h2-12,15H,13-14H2,1H3,(H,27,30).
What are the key properties of 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide?
5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 510.11 g/mol, XLogP of 7.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-N,1-bis(thiophen-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 134082676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).