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

C16H18N6OS — CID 162662557

IUPAC4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3cc(C)c(C#N)cn3)CC2)s1
InChIInChI=1S/C16H18N6OS/c1-11-7-14(18-10-13(11)8-17)21-3-5-22(6-4-21)16(23)20-15-19-9-12(2)24-15/h7,9-10H,3-6H2,1-2H3,(H,19,20,23)
InChIKeyGYBYAXXKSCNVIK-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.38
Rot. Bonds2

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

4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 162662557) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID162662557
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3cc(C)c(C#N)cn3)CC2)s1
InChIInChI=1S/C16H18N6OS/c1-11-7-14(18-10-13(11)8-17)21-3-5-22(6-4-21)16(23)20-15-19-9-12(2)24-15/h7,9-10H,3-6H2,1-2H3,(H,19,20,23)
InChIKeyGYBYAXXKSCNVIK-UHFFFAOYSA-N
XLogP2.38
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135317
N-(1,3-Thiazol-2-yl)pyridin-2-amine 13
CID 5329326
N-(1,3-Thiazol-2-yl)pyridin-2-amine 15
CID 5329328
N-(1,3-Thiazol-2-yl)pyridin-2-amine 16
CID 5329329
N-(1,3-Thiazol-2-yl)pyridin-2-amine 17
CID 5329330
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 21
CID 5329334
N-(1,3-Thiazol-2-yl)pyridin-2-amine 22
CID 5329335
N-(1,3-Thiazol-2-yl)pyridin-2-amine 23
CID 5329336
1-[6-(4-Methylpiperazin-1-yl)-2-pyridinyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 10294111

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 162662557) is 4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1cnc(NC(=O)N2CCN(c3cc(C)c(C#N)cn3)CC2)s1.
What is the InChIKey of 4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is GYBYAXXKSCNVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-11-7-14(18-10-13(11)8-17)21-3-5-22(6-4-21)16(23)20-15-19-9-12(2)24-15/h7,9-10H,3-6H2,1-2H3,(H,19,20,23).
What are the key properties of 4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-4-methyl-2-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 162662557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).