2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide

C21H20ClN3O2S2 — CID 52815737

IUPAC2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C
InChIInChI=1S/C21H20ClN3O2S2/c1-12-14(21(27)25-10-3-4-11-25)6-5-7-15(12)24-19(26)18-13(2)23-20(29-18)16-8-9-17(22)28-16/h5-9H,3-4,10-11H2,1-2H3,(H,24,26)
InChIKeyWKFJPTAFJAGCIL-UHFFFAOYSA-N
MW446.00 g/mol
LogP5.63
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide

2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 52815737) has the molecular formula C21H20ClN3O2S2 and a molecular weight of 446.00 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID52815737
Molecular FormulaC21H20ClN3O2S2
Molecular Weight446.00 g/mol
Exact Mass445.07
IUPAC Name2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C
InChIInChI=1S/C21H20ClN3O2S2/c1-12-14(21(27)25-10-3-4-11-25)6-5-7-15(12)24-19(26)18-13(2)23-20(29-18)16-8-9-17(22)28-16/h5-9H,3-4,10-11H2,1-2H3,(H,24,26)
InChIKeyWKFJPTAFJAGCIL-UHFFFAOYSA-N
XLogP5.63
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.00
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-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

2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 52815770
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 52647652
N-(3-chloro-2-methylphenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387146
2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 60610214
2-(5-chlorothiophen-2-yl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119450424
2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 86848562
1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118470
2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 49326066
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119622366
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
N-[1-(aminomethyl)cyclopentyl]-2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119565568
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 52815815

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide (CID 52815737) is 2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WKFJPTAFJAGCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2S2/c1-12-14(21(27)25-10-3-4-11-25)6-5-7-15(12)24-19(26)18-13(2)23-20(29-18)16-8-9-17(22)28-16/h5-9H,3-4,10-11H2,1-2H3,(H,24,26).
What are the key properties of 2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 446.00 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 52815737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).