2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid

C8H7N3O3S — CID 96604205

IUPAC2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(c1ncco1)c1ncc(C(=O)O)s1
InChIInChI=1S/C8H7N3O3S/c1-11(7-9-2-3-14-7)8-10-4-5(15-8)6(12)13/h2-4H,1H3,(H,12,13)
InChIKeyNVCQIGANCOEQPB-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.60
Rot. Bonds3

About 2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid

2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 96604205) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID96604205
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC Name2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCN(c1ncco1)c1ncc(C(=O)O)s1
InChIInChI=1S/C8H7N3O3S/c1-11(7-9-2-3-14-7)8-10-4-5(15-8)6(12)13/h2-4H,1H3,(H,12,13)
InChIKeyNVCQIGANCOEQPB-UHFFFAOYSA-N
XLogP1.60
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid (CID 96604205) is 2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid is CN(c1ncco1)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is NVCQIGANCOEQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c1-11(7-9-2-3-14-7)8-10-4-5(15-8)6(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid?
2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 225.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,3-oxazol-2-yl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 96604205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).