5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid

C9H7N3O4S — CID 135434746

IUPAC5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1nc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)cs1
InChIInChI=1S/C9H7N3O4S/c1-3-10-4(2-17-3)7-11-5(9(15)16)6(13)8(14)12-7/h2,13H,1H3,(H,15,16)(H,11,12,14)
InChIKeyHAOLKYOQBOTMLO-UHFFFAOYSA-N
MW253.24 g/mol
LogP0.61
Rot. Bonds2

About 5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid

5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434746) has the molecular formula C9H7N3O4S and a molecular weight of 253.24 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434746
Molecular FormulaC9H7N3O4S
Molecular Weight253.24 g/mol
Exact Mass253.02
IUPAC Name5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1nc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)cs1
InChIInChI=1S/C9H7N3O4S/c1-3-10-4(2-17-3)7-11-5(9(15)16)6(13)8(14)12-7/h2,13H,1H3,(H,15,16)(H,11,12,14)
InChIKeyHAOLKYOQBOTMLO-UHFFFAOYSA-N
XLogP0.61
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72891553
5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 137005906
2-(3-aminothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid;hydrochloride
CID 135466456
5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
CID 137005930
5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylic acid;methyl 5-hydroxy-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxylate
CID 159744997
2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(1-phenylpropyl)-1H-pyrimidine-5-carboxamide
CID 90384979
2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
CID 137005901
3-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 19370602
2-(3-benzamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135427952
5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434247
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 72915421
5-hydroxy-6-oxo-2-[4-(1-thiophen-2-ylethylcarbamoylamino)thiophen-3-yl]-1H-pyrimidine-4-carboxylic acid
CID 135434683

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434746) is 5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid is Cc1nc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)cs1.
What is the InChIKey of 5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is HAOLKYOQBOTMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4S/c1-3-10-4(2-17-3)7-11-5(9(15)16)6(13)8(14)12-7/h2,13H,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 253.24 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).