N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide

C16H18ClN3OS2 — CID 119320634

IUPACN-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(C)NC(=O)C1CSCN1
InChIInChI=1S/C16H18ClN3OS2/c1-9(19-15(21)13-7-22-8-18-13)14-10(2)20-16(23-14)11-3-5-12(17)6-4-11/h3-6,9,13,18H,7-8H2,1-2H3,(H,19,21)
InChIKeyHZJRJGNTLYTSKJ-UHFFFAOYSA-N
MW367.93 g/mol
LogP3.61
Rot. Bonds4

About N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide

N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119320634) has the molecular formula C16H18ClN3OS2 and a molecular weight of 367.93 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119320634
Molecular FormulaC16H18ClN3OS2
Molecular Weight367.93 g/mol
Exact Mass367.06
IUPAC NameN-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(C)NC(=O)C1CSCN1
InChIInChI=1S/C16H18ClN3OS2/c1-9(19-15(21)13-7-22-8-18-13)14-10(2)20-16(23-14)11-3-5-12(17)6-4-11/h3-6,9,13,18H,7-8H2,1-2H3,(H,19,21)
InChIKeyHZJRJGNTLYTSKJ-UHFFFAOYSA-N
XLogP3.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.93
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-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

(4S)-N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 124594864
2-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184523
(2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931705
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 119779753
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride
CID 119319600
(2S)-2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propanamide
CID 119320638
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119778547
N-[(1S)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxyacetamide
CID 95339303
3-chloro-N-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 99812966
1-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-(2-hydroxyethyl)urea
CID 95759999
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119321360
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119287384

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide (CID 119320634) is N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1C(C)NC(=O)C1CSCN1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is HZJRJGNTLYTSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS2/c1-9(19-15(21)13-7-22-8-18-13)14-10(2)20-16(23-14)11-3-5-12(17)6-4-11/h3-6,9,13,18H,7-8H2,1-2H3,(H,19,21).
What are the key properties of N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide?
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 367.93 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119320634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).