2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

C10H14N2O4S — CID 116697189

IUPAC2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESCCC(COC)NC(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H14N2O4S/c1-3-6(4-16-2)11-8(13)9-12-7(5-17-9)10(14)15/h5-6H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyQDPHIDOFGNBSIN-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.00
Rot. Bonds6

About 2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116697189) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116697189
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESCCC(COC)NC(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H14N2O4S/c1-3-6(4-16-2)11-8(13)9-12-7(5-17-9)10(14)15/h5-6H,3-4H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyQDPHIDOFGNBSIN-UHFFFAOYSA-N
XLogP1.00
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698071
2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697408
2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696799
5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80616601
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 84761744
2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696883
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 95773781
2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696912
2-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697449
2-[methyl(pentan-3-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696720
2-(2-pyrrolidin-1-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697328

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (CID 116697189) is 2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is CCC(COC)NC(=O)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is QDPHIDOFGNBSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-3-6(4-16-2)11-8(13)9-12-7(5-17-9)10(14)15/h5-6H,3-4H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).