3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid

C10H12N4O3S — CID 19622268

IUPAC3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(C(=O)NC2=NCCS2)cn1
InChIInChI=1S/C10H12N4O3S/c15-8(16)1-3-14-6-7(5-12-14)9(17)13-10-11-2-4-18-10/h5-6H,1-4H2,(H,15,16)(H,11,13,17)
InChIKeyOCOFELCVFBSTBS-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.19
Rot. Bonds4

About 3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid

3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19622268) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19622268
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(C(=O)NC2=NCCS2)cn1
InChIInChI=1S/C10H12N4O3S/c15-8(16)1-3-14-6-7(5-12-14)9(17)13-10-11-2-4-18-10/h5-6H,1-4H2,(H,15,16)(H,11,13,17)
InChIKeyOCOFELCVFBSTBS-UHFFFAOYSA-N
XLogP0.19
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic 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

3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622223
3-[4-[[4-(diethylamino)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471097
3-[4-[(3,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471125
3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471152
3-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471366
1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622504
1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 47299668
3-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471099
3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471272
3-[4-[[1-[(4-bromophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471227
3-[4-[(4-methyl-3,5-dinitrophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471305
3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19622220

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19622268) is 3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(C(=O)NC2=NCCS2)cn1.
What is the InChIKey of 3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is OCOFELCVFBSTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c15-8(16)1-3-14-6-7(5-12-14)9(17)13-10-11-2-4-18-10/h5-6H,1-4H2,(H,15,16)(H,11,13,17).
What are the key properties of 3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 268.30 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19622268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).