5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide

C16H15N7OS — CID 91233130

IUPAC5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nc(C)sc2Nc2c(C#N)cnn2C)ccn1
InChIInChI=1S/C16H15N7OS/c1-9-6-12(4-5-18-9)21-15(24)13-16(25-10(2)20-13)22-14-11(7-17)8-19-23(14)3/h4-6,8,22H,1-3H3,(H,18,21,24)
InChIKeyFEJYWNJLGUXVMK-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.76
Rot. Bonds4

About 5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide

5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 91233130) has the molecular formula C16H15N7OS and a molecular weight of 353.41 g/mol. Its IUPAC name is 5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID91233130
Molecular FormulaC16H15N7OS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC Name5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nc(C)sc2Nc2c(C#N)cnn2C)ccn1
InChIInChI=1S/C16H15N7OS/c1-9-6-12(4-5-18-9)21-15(24)13-16(25-10(2)20-13)22-14-11(7-17)8-19-23(14)3/h4-6,8,22H,1-3H3,(H,18,21,24)
InChIKeyFEJYWNJLGUXVMK-UHFFFAOYSA-N
XLogP2.76
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide (CID 91233130) is 5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2nc(C)sc2Nc2c(C#N)cnn2C)ccn1.
What is the InChIKey of 5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FEJYWNJLGUXVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7OS/c1-9-6-12(4-5-18-9)21-15(24)13-16(25-10(2)20-13)22-14-11(7-17)8-19-23(14)3/h4-6,8,22H,1-3H3,(H,18,21,24).
What are the key properties of 5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyano-1-methylpyrazol-5-yl)amino]-2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91233130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).