N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide

C15H15ClN6OS — CID 162675967

IUPACN-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)cnc1C#N
InChIInChI=1S/C15H15ClN6OS/c1-10-6-11(8-18-12(10)7-17)21-2-4-22(5-3-21)15(23)20-14-19-9-13(16)24-14/h6,8-9H,2-5H2,1H3,(H,19,20,23)
InChIKeyWFABDQGQYVWYAQ-UHFFFAOYSA-N
MW362.85 g/mol
LogP2.73
Rot. Bonds2

About N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide

N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 162675967) has the molecular formula C15H15ClN6OS and a molecular weight of 362.85 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID162675967
Molecular FormulaC15H15ClN6OS
Molecular Weight362.85 g/mol
Exact Mass362.07
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)cnc1C#N
InChIInChI=1S/C15H15ClN6OS/c1-10-6-11(8-18-12(10)7-17)21-2-4-22(5-3-21)15(23)20-14-19-9-13(16)24-14/h6,8-9H,2-5H2,1H3,(H,19,20,23)
InChIKeyWFABDQGQYVWYAQ-UHFFFAOYSA-N
XLogP2.73
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-(1,3-Thiazol-2-yl)pyridin-2-amine 18
CID 5329331
N-(1,3-Thiazol-2-yl)pyridin-2-amine 19
CID 5329332
4-(2-(5-Cyanothiazol-2-ylamino)pyridin-4-ylmethyl)piperazine-1-carboxylic acid methylamide
CID 5329333
N-(1,3-Thiazol-2-yl)pyridin-2-amine 23
CID 5329336
4-(5,6-dichloro-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 145420108
N-(5-chloro-1,3-thiazol-2-yl)-4-(5-cyano-4-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 145420157
4-({6-[(5-cyano-1,3-thiazol-2-yl)amino]pyridin-3-yl}methyl)-N-methylpiperazine-1-carboxamide
CID 25093343
HIV-1 inhibitor-35
CID 162644158
4-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162644305
N-(5-cyano-1,3-thiazol-2-yl)-4-(5,6-dichloro-3-pyridinyl)piperazine-1-carboxamide
CID 162668787
4-(3-cyanophenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 162670417
N-(5-chloro-1,3-thiazol-2-yl)-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 162672593

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide (CID 162675967) is N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide is Cc1cc(N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)cnc1C#N.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is WFABDQGQYVWYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6OS/c1-10-6-11(8-18-12(10)7-17)21-2-4-22(5-3-21)15(23)20-14-19-9-13(16)24-14/h6,8-9H,2-5H2,1H3,(H,19,20,23).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide?
N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 362.85 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-4-(6-cyano-5-methyl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 162675967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).