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

C14H15N7OS — CID 91057898

IUPAC2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nccc(NC(=O)c2nc(C)sc2Nc2ccnn2C)n1
InChIInChI=1S/C14H15N7OS/c1-8-15-6-4-10(17-8)19-13(22)12-14(23-9(2)18-12)20-11-5-7-16-21(11)3/h4-7,20H,1-3H3,(H,15,17,19,22)
InChIKeyJGFPSNVVWAFMEJ-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.28
Rot. Bonds4

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

2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 91057898) has the molecular formula C14H15N7OS and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID91057898
Molecular FormulaC14H15N7OS
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nccc(NC(=O)c2nc(C)sc2Nc2ccnn2C)n1
InChIInChI=1S/C14H15N7OS/c1-8-15-6-4-10(17-8)19-13(22)12-14(23-9(2)18-12)20-11-5-7-16-21(11)3/h4-7,20H,1-3H3,(H,15,17,19,22)
InChIKeyJGFPSNVVWAFMEJ-UHFFFAOYSA-N
XLogP2.28
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide (CID 91057898) is 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide is Cc1nccc(NC(=O)c2nc(C)sc2Nc2ccnn2C)n1.
What is the InChIKey of 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is JGFPSNVVWAFMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7OS/c1-8-15-6-4-10(17-8)19-13(22)12-14(23-9(2)18-12)20-11-5-7-16-21(11)3/h4-7,20H,1-3H3,(H,15,17,19,22).
What are the key properties of 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide?
2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylpyrazol-3-yl)amino]-N-(2-methylpyrimidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91057898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).