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

C14H14Cl2N4OS — CID 162660985

IUPAC3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide
SMILESCc1ccc(NC2CN(C(=O)Nc3ncc(Cl)s3)C2)cc1Cl
InChIInChI=1S/C14H14Cl2N4OS/c1-8-2-3-9(4-11(8)15)18-10-6-20(7-10)14(21)19-13-17-5-12(16)22-13/h2-5,10,18H,6-7H2,1H3,(H,17,19,21)
InChIKeySQQSLERAASOSHM-UHFFFAOYSA-N
MW357.27 g/mol
LogP4.09
Rot. Bonds3

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

3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide (PubChem CID 162660985) has the molecular formula C14H14Cl2N4OS and a molecular weight of 357.27 g/mol. Its IUPAC name is 3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide
PubChem CID162660985
Molecular FormulaC14H14Cl2N4OS
Molecular Weight357.27 g/mol
Exact Mass356.03
IUPAC Name3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide
SMILESCc1ccc(NC2CN(C(=O)Nc3ncc(Cl)s3)C2)cc1Cl
InChIInChI=1S/C14H14Cl2N4OS/c1-8-2-3-9(4-11(8)15)18-10-6-20(7-10)14(21)19-13-17-5-12(16)22-13/h2-5,10,18H,6-7H2,1H3,(H,17,19,21)
InChIKeySQQSLERAASOSHM-UHFFFAOYSA-N
XLogP4.09
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420088
4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420119
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420120
4-(4-chloro-3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420130
4-(4-chloro-3-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420137
3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 145420144
4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420154
1-(3-Chloro-4-methyl-phenyl)-3-(5-chloro-thiazol-2-yl)-1-cyclopentylmethyl-urea
CID 44389882
4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide
CID 162662550
4-(4-chlorophenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162665276
3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
CID 162672664
3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide
CID 162673535

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide (CID 162660985) is 3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide is Cc1ccc(NC2CN(C(=O)Nc3ncc(Cl)s3)C2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The InChIKey is SQQSLERAASOSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4OS/c1-8-2-3-9(4-11(8)15)18-10-6-20(7-10)14(21)19-13-17-5-12(16)22-13/h2-5,10,18H,6-7H2,1H3,(H,17,19,21).
What are the key properties of 3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide?
3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide has a molecular weight of 357.27 g/mol, XLogP of 4.09, 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-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 162660985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).