N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C9H8N4O2S — CID 136666344

IUPACN-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1csc(NC(=O)c2cc(=O)[nH]cn2)n1
InChIInChI=1S/C9H8N4O2S/c1-5-3-16-9(12-5)13-8(15)6-2-7(14)11-4-10-6/h2-4H,1H3,(H,10,11,14)(H,12,13,15)
InChIKeyQYDFQZBYOANILA-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.79
Rot. Bonds2

About N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136666344) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136666344
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1csc(NC(=O)c2cc(=O)[nH]cn2)n1
InChIInChI=1S/C9H8N4O2S/c1-5-3-16-9(12-5)13-8(15)6-2-7(14)11-4-10-6/h2-4H,1H3,(H,10,11,14)(H,12,13,15)
InChIKeyQYDFQZBYOANILA-UHFFFAOYSA-N
XLogP0.79
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 136666344) is N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide is Cc1csc(NC(=O)c2cc(=O)[nH]cn2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is QYDFQZBYOANILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c1-5-3-16-9(12-5)13-8(15)6-2-7(14)11-4-10-6/h2-4H,1H3,(H,10,11,14)(H,12,13,15).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136666344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).