2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide

C13H12N6OS — CID 71789789

IUPAC2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cnc(-n3cccn3)nc2)s1
InChIInChI=1S/C13H12N6OS/c1-8-11(21-9(2)17-8)12(20)18-10-6-14-13(15-7-10)19-5-3-4-16-19/h3-7H,1-2H3,(H,18,20)
InChIKeyHFMBNHGIIHVNES-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.99
Rot. Bonds3

About 2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide (PubChem CID 71789789) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
PubChem CID71789789
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC Name2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cnc(-n3cccn3)nc2)s1
InChIInChI=1S/C13H12N6OS/c1-8-11(21-9(2)17-8)12(20)18-10-6-14-13(15-7-10)19-5-3-4-16-19/h3-7H,1-2H3,(H,18,20)
InChIKeyHFMBNHGIIHVNES-UHFFFAOYSA-N
XLogP1.99
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide (CID 71789789) is 2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cnc(-n3cccn3)nc2)s1.
What is the InChIKey of 2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is HFMBNHGIIHVNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-8-11(21-9(2)17-8)12(20)18-10-6-14-13(15-7-10)19-5-3-4-16-19/h3-7H,1-2H3,(H,18,20).
What are the key properties of 2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 300.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71789789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).