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

C15H14ClN5OS — CID 162643185

IUPAC4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C15H14ClN5OS/c16-11-1-3-12(4-2-11)20-5-7-21(8-6-20)15(22)19-14-18-10-13(9-17)23-14/h1-4,10H,5-8H2,(H,18,19,22)
InChIKeyFZZQHPCRDBZBLS-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.02
Rot. Bonds2

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

4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 162643185) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID162643185
Molecular FormulaC15H14ClN5OS
Molecular Weight347.83 g/mol
Exact Mass347.06
IUPAC Name4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C15H14ClN5OS/c16-11-1-3-12(4-2-11)20-5-7-21(8-6-20)15(22)19-14-18-10-13(9-17)23-14/h1-4,10H,5-8H2,(H,18,19,22)
InChIKeyFZZQHPCRDBZBLS-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

Urea, N-(3-chlorophenyl)-N'-2-thiazolyl-
CID 178054
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 603425
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
4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420108
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
4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420154

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 162643185) is 4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is FZZQHPCRDBZBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS/c16-11-1-3-12(4-2-11)20-5-7-21(8-6-20)15(22)19-14-18-10-13(9-17)23-14/h1-4,10H,5-8H2,(H,18,19,22).
What are the key properties of 4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)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 4-(4-chlorophenyl)-N-(5-cyano-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 162643185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).