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

C11H12N4O2S — CID 154869241

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCCc1csc(CNC(=O)c2cc(=O)[nH]cn2)n1
InChIInChI=1S/C11H12N4O2S/c1-2-7-5-18-10(15-7)4-12-11(17)8-3-9(16)14-6-13-8/h3,5-6H,2,4H2,1H3,(H,12,17)(H,13,14,16)
InChIKeyZHLXNSVSYSAUIV-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.72
Rot. Bonds4

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

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 154869241) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID154869241
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCCc1csc(CNC(=O)c2cc(=O)[nH]cn2)n1
InChIInChI=1S/C11H12N4O2S/c1-2-7-5-18-10(15-7)4-12-11(17)8-3-9(16)14-6-13-8/h3,5-6H,2,4H2,1H3,(H,12,17)(H,13,14,16)
InChIKeyZHLXNSVSYSAUIV-UHFFFAOYSA-N
XLogP0.72
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50970588
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666393
3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 97130974
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147431
5-[3-[(4-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]-5-fluorophenyl]pyridine-2-carboxylic acid
CID 170511667
4-ethyl-1H-pyrimidin-6-one
CID 135407688
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170512984
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131919090
2-cyclopropyl-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 138005065
6-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 119999255
3-amino-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119125701

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 154869241) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is CCc1csc(CNC(=O)c2cc(=O)[nH]cn2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is ZHLXNSVSYSAUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-2-7-5-18-10(15-7)4-12-11(17)8-3-9(16)14-6-13-8/h3,5-6H,2,4H2,1H3,(H,12,17)(H,13,14,16).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 154869241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).