2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C10H14N2O4S — CID 116696918

IUPAC2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)N(CCO)C(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H14N2O4S/c1-6(2)12(3-4-13)9(14)8-11-7(5-17-8)10(15)16/h5-6,13H,3-4H2,1-2H3,(H,15,16)
InChIKeyCDAMIMXJOSDSHX-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.68
Rot. Bonds5

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

2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116696918) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116696918
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)N(CCO)C(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H14N2O4S/c1-6(2)12(3-4-13)9(14)8-11-7(5-17-8)10(15)16/h5-6,13H,3-4H2,1-2H3,(H,15,16)
InChIKeyCDAMIMXJOSDSHX-UHFFFAOYSA-N
XLogP0.68
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-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

2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696928
N-(2-hydroxyethyl)-2-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 65199061
2-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697449
2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696934
2-[methyl(pentan-3-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696720
2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696799
2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 114114472
2-[benzyl(methyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696567
2-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696904
2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697408
2-[bis(cyclopropylmethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697177
N-(2-hydroxyethyl)-5-(methylamino)-N-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 80616879

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116696918) is 2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid is CC(C)N(CCO)C(=O)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is CDAMIMXJOSDSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6(2)12(3-4-13)9(14)8-11-7(5-17-8)10(15)16/h5-6,13H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).