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

C16H18N6OS — CID 51084077

IUPAC4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1csc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1
InChIInChI=1S/C16H18N6OS/c1-12-11-24-15(20-12)10-19-16(23)22-6-4-21(5-7-22)14-8-13(9-17)2-3-18-14/h2-3,8,11H,4-7,10H2,1H3,(H,19,23)
InChIKeySBHOHEUGPIUFAH-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.75
Rot. Bonds3

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

4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 51084077) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
PubChem CID51084077
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1csc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1
InChIInChI=1S/C16H18N6OS/c1-12-11-24-15(20-12)10-19-16(23)22-6-4-21(5-7-22)14-8-13(9-17)2-3-18-14/h2-3,8,11H,4-7,10H2,1H3,(H,19,23)
InChIKeySBHOHEUGPIUFAH-UHFFFAOYSA-N
XLogP1.75
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
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4-(4-cyano-2-pyridinyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]piperazine-1-carboxamide
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CID 55909740
2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]pyridine-4-carbonitrile
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4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
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4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
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2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38263518
N-[2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55550122
N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55568938
4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (CID 51084077) is 4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is Cc1csc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1.
What is the InChIKey of 4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is SBHOHEUGPIUFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-12-11-24-15(20-12)10-19-16(23)22-6-4-21(5-7-22)14-8-13(9-17)2-3-18-14/h2-3,8,11H,4-7,10H2,1H3,(H,19,23).
What are the key properties of 4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 51084077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).