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

C15H14ClN5OS — CID 162672593

IUPACN-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide
SMILESN#Cc1cccc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)c1
InChIInChI=1S/C15H14ClN5OS/c16-13-10-18-14(23-13)19-15(22)21-6-4-20(5-7-21)12-3-1-2-11(8-12)9-17/h1-3,8,10H,4-7H2,(H,18,19,22)
InChIKeyRVVUHWOCRZOSMF-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.02
Rot. Bonds2

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

N-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide (PubChem CID 162672593) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide
PubChem CID162672593
Molecular FormulaC15H14ClN5OS
Molecular Weight347.83 g/mol
Exact Mass347.06
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide
SMILESN#Cc1cccc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)c1
InChIInChI=1S/C15H14ClN5OS/c16-13-10-18-14(23-13)19-15(22)21-6-4-20(5-7-21)12-3-1-2-11(8-12)9-17/h1-3,8,10H,4-7H2,(H,18,19,22)
InChIKeyRVVUHWOCRZOSMF-UHFFFAOYSA-N
XLogP3.02
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-4-methylphenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420088
N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 145420109
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-(5-cyano-4-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 145420157
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
4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162670417

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide (CID 162672593) is N-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide is N#Cc1cccc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)c1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide?
The InChIKey is RVVUHWOCRZOSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS/c16-13-10-18-14(23-13)19-15(22)21-6-4-20(5-7-21)12-3-1-2-11(8-12)9-17/h1-3,8,10H,4-7H2,(H,18,19,22).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide?
N-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide has a molecular weight of 347.83 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 162672593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).