2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide

C13H13N7OS — CID 69350157

IUPAC2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccn(C)n2)c(Nc2cncnc2)s1
InChIInChI=1S/C13H13N7OS/c1-8-16-11(12(21)18-10-3-4-20(2)19-10)13(22-8)17-9-5-14-7-15-6-9/h3-7,17H,1-2H3,(H,18,19,21)
InChIKeyGFLBNEOZPZFLFD-UHFFFAOYSA-N
MW315.36 g/mol
LogP1.97
Rot. Bonds4

About 2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide

2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 69350157) has the molecular formula C13H13N7OS and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID69350157
Molecular FormulaC13H13N7OS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC Name2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccn(C)n2)c(Nc2cncnc2)s1
InChIInChI=1S/C13H13N7OS/c1-8-16-11(12(21)18-10-3-4-20(2)19-10)13(22-8)17-9-5-14-7-15-6-9/h3-7,17H,1-2H3,(H,18,19,21)
InChIKeyGFLBNEOZPZFLFD-UHFFFAOYSA-N
XLogP1.97
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide (CID 69350157) is 2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccn(C)n2)c(Nc2cncnc2)s1.
What is the InChIKey of 2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is GFLBNEOZPZFLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7OS/c1-8-16-11(12(21)18-10-3-4-20(2)19-10)13(22-8)17-9-5-14-7-15-6-9/h3-7,17H,1-2H3,(H,18,19,21).
What are the key properties of 2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylpyrazol-3-yl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 69350157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).