2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid

C10H13N3O3S — CID 66381336

IUPAC2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(NCc1nc(C(=O)O)cs1)NC1CCC1
InChIInChI=1S/C10H13N3O3S/c14-9(15)7-5-17-8(13-7)4-11-10(16)12-6-2-1-3-6/h5-6H,1-4H2,(H,14,15)(H2,11,12,16)
InChIKeyAFOZTPJQBRIARW-UHFFFAOYSA-N
MW255.30 g/mol
LogP1.19
Rot. Bonds4

About 2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid

2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66381336) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66381336
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(NCc1nc(C(=O)O)cs1)NC1CCC1
InChIInChI=1S/C10H13N3O3S/c14-9(15)7-5-17-8(13-7)4-11-10(16)12-6-2-1-3-6/h5-6H,1-4H2,(H,14,15)(H2,11,12,16)
InChIKeyAFOZTPJQBRIARW-UHFFFAOYSA-N
XLogP1.19
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(cyclobutylcarbamoylamino)methyl]-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-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 113475823
2-[(cyclobutylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379771
2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
CID 82154985
2-[(cycloheptanecarbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380665
2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379989
2-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 102865455
2-[(thiane-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 80594027
2-[[(1,1-dioxothiolan-2-yl)methylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 81043037
2-[(oxan-2-ylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379785
2-[[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 106020912
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294
2-[2-(cyclobutylmethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374104

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid (CID 66381336) is 2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid is O=C(NCc1nc(C(=O)O)cs1)NC1CCC1.
What is the InChIKey of 2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is AFOZTPJQBRIARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c14-9(15)7-5-17-8(13-7)4-11-10(16)12-6-2-1-3-6/h5-6H,1-4H2,(H,14,15)(H2,11,12,16).
What are the key properties of 2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66381336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).