3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide

C15H17ClN4OS — CID 162672664

IUPAC3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CC(Nc3ccc(C)c(Cl)c3)C2)s1
InChIInChI=1S/C15H17ClN4OS/c1-9-3-4-11(5-13(9)16)18-12-7-20(8-12)15(21)19-14-17-6-10(2)22-14/h3-6,12,18H,7-8H2,1-2H3,(H,17,19,21)
InChIKeyJSCDIKNTSARCID-UHFFFAOYSA-N
MW336.85 g/mol
LogP3.74
Rot. Bonds3

About 3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide

3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide (PubChem CID 162672664) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is 3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
PubChem CID162672664
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC Name3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CC(Nc3ccc(C)c(Cl)c3)C2)s1
InChIInChI=1S/C15H17ClN4OS/c1-9-3-4-11(5-13(9)16)18-12-7-20(8-12)15(21)19-14-17-6-10(2)22-14/h3-6,12,18H,7-8H2,1-2H3,(H,17,19,21)
InChIKeyJSCDIKNTSARCID-UHFFFAOYSA-N
XLogP3.74
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 162665615
(3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 162663345
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 162643725
3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 162663101
4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide
CID 162674207
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 24555170
4-(6-cyano-5-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162675723
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
(2R)-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150045
[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 68595891

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide (CID 162672664) is 3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide is Cc1cnc(NC(=O)N2CC(Nc3ccc(C)c(Cl)c3)C2)s1.
What is the InChIKey of 3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The InChIKey is JSCDIKNTSARCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4OS/c1-9-3-4-11(5-13(9)16)18-12-7-20(8-12)15(21)19-14-17-6-10(2)22-14/h3-6,12,18H,7-8H2,1-2H3,(H,17,19,21).
What are the key properties of 3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide?
3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide has a molecular weight of 336.85 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 162672664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).