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

C15H16Cl2N4OS — CID 162673535

IUPAC3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide
SMILESCc1ccc(N(C)C2CN(C(=O)Nc3ncc(Cl)s3)C2)cc1Cl
InChIInChI=1S/C15H16Cl2N4OS/c1-9-3-4-10(5-12(9)16)20(2)11-7-21(8-11)15(22)19-14-18-6-13(17)23-14/h3-6,11H,7-8H2,1-2H3,(H,18,19,22)
InChIKeyFULVLSARISELNT-UHFFFAOYSA-N
MW371.29 g/mol
LogP4.11
Rot. Bonds3

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

3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide (PubChem CID 162673535) has the molecular formula C15H16Cl2N4OS and a molecular weight of 371.29 g/mol. Its IUPAC name is 3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide
PubChem CID162673535
Molecular FormulaC15H16Cl2N4OS
Molecular Weight371.29 g/mol
Exact Mass370.04
IUPAC Name3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide
SMILESCc1ccc(N(C)C2CN(C(=O)Nc3ncc(Cl)s3)C2)cc1Cl
InChIInChI=1S/C15H16Cl2N4OS/c1-9-3-4-10(5-12(9)16)20(2)11-7-21(8-11)15(22)19-14-18-6-13(17)23-14/h3-6,11H,7-8H2,1-2H3,(H,18,19,22)
InChIKeyFULVLSARISELNT-UHFFFAOYSA-N
XLogP4.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide with MolForge

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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-(3,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420100
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
N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 145420156
1-(3-Chloro-4-methyl-phenyl)-3-(5-chloro-thiazol-2-yl)-1-cyclopentylmethyl-urea
CID 44389882
3-(3-chloro-4-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide
CID 162660985
4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-methylpiperazine-1-carboxamide
CID 162662550

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide (CID 162673535) is 3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide is Cc1ccc(N(C)C2CN(C(=O)Nc3ncc(Cl)s3)C2)cc1Cl.
What is the InChIKey of 3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The InChIKey is FULVLSARISELNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4OS/c1-9-3-4-10(5-12(9)16)20(2)11-7-21(8-11)15(22)19-14-18-6-13(17)23-14/h3-6,11H,7-8H2,1-2H3,(H,18,19,22).
What are the key properties of 3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide?
3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide has a molecular weight of 371.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-N,4-dimethylanilino)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 162673535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).