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

C9H13N3O3S — CID 66380294

IUPAC2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCNC(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C9H13N3O3S/c1-2-3-10-9(15)11-4-7-12-6(5-16-7)8(13)14/h5H,2-4H2,1H3,(H,13,14)(H2,10,11,15)
InChIKeyTYLWOOFSPAZRSY-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.05
Rot. Bonds5

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

2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66380294) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66380294
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCNC(=O)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C9H13N3O3S/c1-2-3-10-9(15)11-4-7-12-6(5-16-7)8(13)14/h5H,2-4H2,1H3,(H,13,14)(H2,10,11,15)
InChIKeyTYLWOOFSPAZRSY-UHFFFAOYSA-N
XLogP1.05
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(propylcarbamoylamino)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-[(hexylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66378622
2-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82154993
2-[[3-(ethylamino)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379938
2-[(3-methylpentan-3-ylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 106330610
2-[(3-ethylpentan-2-ylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380184
2-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 106420280
2-[(2-methylbutanoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379680
2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379989
2-[2-[2-(diethylamino)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373322
2-[(2-methoxypropylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 102699579
2-[[(2-amino-2-methylpropanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379345
2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375498

Frequently Asked Questions

What is the IUPAC name of 2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid (CID 66380294) is 2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid is CCCNC(=O)NCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is TYLWOOFSPAZRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-2-3-10-9(15)11-4-7-12-6(5-16-7)8(13)14/h5H,2-4H2,1H3,(H,13,14)(H2,10,11,15).
What are the key properties of 2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 243.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66380294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).