4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide

C16H16ClN5OS — CID 145420119

IUPAC4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)Nc3ncc(C#N)s3)CC2)ccc1Cl
InChIInChI=1S/C16H16ClN5OS/c1-11-8-12(2-3-14(11)17)21-4-6-22(7-5-21)16(23)20-15-19-10-13(9-18)24-15/h2-3,8,10H,4-7H2,1H3,(H,19,20,23)
InChIKeyMJUDLPYSFKCAAX-UHFFFAOYSA-N
MW361.86 g/mol
LogP3.33
Rot. Bonds2

About 4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 145420119) has the molecular formula C16H16ClN5OS and a molecular weight of 361.86 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID145420119
Molecular FormulaC16H16ClN5OS
Molecular Weight361.86 g/mol
Exact Mass361.08
IUPAC Name4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)Nc3ncc(C#N)s3)CC2)ccc1Cl
InChIInChI=1S/C16H16ClN5OS/c1-11-8-12(2-3-14(11)17)21-4-6-22(7-5-21)16(23)20-15-19-10-13(9-18)24-15/h2-3,8,10H,4-7H2,1H3,(H,19,20,23)
InChIKeyMJUDLPYSFKCAAX-UHFFFAOYSA-N
XLogP3.33
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Chlorophenyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 9840457
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
N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 145420109
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
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 163368417
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 163368432
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(4-chlorophenyl)acetamide
CID 163368441

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 145420119) is 4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1cc(N2CCN(C(=O)Nc3ncc(C#N)s3)CC2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is MJUDLPYSFKCAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS/c1-11-8-12(2-3-14(11)17)21-4-6-22(7-5-21)16(23)20-15-19-10-13(9-18)24-15/h2-3,8,10H,4-7H2,1H3,(H,19,20,23).
What are the key properties of 4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 361.86 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 145420119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).