6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid

C12H12N4O3S — CID 139564980

IUPAC6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid
SMILESCc1cnc(C(C)NC(=O)c2cc(C(=O)O)ncn2)s1
InChIInChI=1S/C12H12N4O3S/c1-6-4-13-11(20-6)7(2)16-10(17)8-3-9(12(18)19)15-5-14-8/h3-5,7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFLJDALFERCRVIQ-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.43
Rot. Bonds4

About 6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid

6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid (PubChem CID 139564980) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid
PubChem CID139564980
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid
SMILESCc1cnc(C(C)NC(=O)c2cc(C(=O)O)ncn2)s1
InChIInChI=1S/C12H12N4O3S/c1-6-4-13-11(20-6)7(2)16-10(17)8-3-9(12(18)19)15-5-14-8/h3-5,7H,1-2H3,(H,16,17)(H,18,19)
InChIKeyFLJDALFERCRVIQ-UHFFFAOYSA-N
XLogP1.43
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104893000
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607848
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622
N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 164637842
3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103908469
2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119898126
(2S)-2-amino-3,3-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119898119
2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112704951
5-amino-2,4-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 102705874
3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702022
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 103814989

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid?
The IUPAC name of 6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid (CID 139564980) is 6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid is Cc1cnc(C(C)NC(=O)c2cc(C(=O)O)ncn2)s1.
What is the InChIKey of 6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid?
The InChIKey is FLJDALFERCRVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-6-4-13-11(20-6)7(2)16-10(17)8-3-9(12(18)19)15-5-14-8/h3-5,7H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid?
6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 139564980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).