4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid

C10H12N2O4S — CID 104892962

IUPAC4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid
SMILESCN(C(=O)c1csc(C(=O)O)n1)C1CCOC1
InChIInChI=1S/C10H12N2O4S/c1-12(6-2-3-16-4-6)9(13)7-5-17-8(11-7)10(14)15/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeySBMWNECXTHYEJG-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.70
Rot. Bonds3

About 4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid

4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 104892962) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid
PubChem CID104892962
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid
SMILESCN(C(=O)c1csc(C(=O)O)n1)C1CCOC1
InChIInChI=1S/C10H12N2O4S/c1-12(6-2-3-16-4-6)9(13)7-5-17-8(11-7)10(14)15/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeySBMWNECXTHYEJG-UHFFFAOYSA-N
XLogP0.70
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyrazine-2-carboxamide
CID 114036029
2-[methyl(oxan-4-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569084
3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 82738033
1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide
CID 82743415
2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 82733799
N-methyl-N-(oxan-4-yl)-2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 168858509
N-methyl-N-(oxan-4-yl)-1,3-thiazole-4-carboxamide
CID 63037211
5-[methyl(oxolan-3-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 82733477
N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823386
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697089
4-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 63711703
4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104892993

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid (CID 104892962) is 4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid is CN(C(=O)c1csc(C(=O)O)n1)C1CCOC1.
What is the InChIKey of 4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is SBMWNECXTHYEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-12(6-2-3-16-4-6)9(13)7-5-17-8(11-7)10(14)15/h5-6H,2-4H2,1H3,(H,14,15).
What are the key properties of 4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxolan-3-yl)carbamoyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 104892962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).