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

C15H13Cl2N5OS — CID 145420109

IUPACN-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)s1
InChIInChI=1S/C15H13Cl2N5OS/c16-12-2-1-10(7-13(12)17)21-3-5-22(6-4-21)15(23)20-14-19-9-11(8-18)24-14/h1-2,7,9H,3-6H2,(H,19,20,23)
InChIKeyCQQGYNLRKYXTKY-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.68
Rot. Bonds2

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

N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 145420109) has the molecular formula C15H13Cl2N5OS and a molecular weight of 382.28 g/mol. Its IUPAC name is N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
PubChem CID145420109
Molecular FormulaC15H13Cl2N5OS
Molecular Weight382.28 g/mol
Exact Mass381.02
IUPAC NameN-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
SMILESN#Cc1cnc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)s1
InChIInChI=1S/C15H13Cl2N5OS/c16-12-2-1-10(7-13(12)17)21-3-5-22(6-4-21)15(23)20-14-19-9-11(8-18)24-14/h1-2,7,9H,3-6H2,(H,19,20,23)
InChIKeyCQQGYNLRKYXTKY-UHFFFAOYSA-N
XLogP3.68
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-Dichlorophenyl)-3-(1,3-thiazol-2-yl)urea
CID 722640
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
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
N-(5-chloro-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 145420156
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 163368417
1-(4-Chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 771027

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide (CID 145420109) is N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)s1.
What is the InChIKey of N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is CQQGYNLRKYXTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5OS/c16-12-2-1-10(7-13(12)17)21-3-5-22(6-4-21)15(23)20-14-19-9-11(8-18)24-14/h1-2,7,9H,3-6H2,(H,19,20,23).
What are the key properties of N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide?
N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 382.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,3-thiazol-2-yl)-4-(3,4-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 145420109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).