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

C12H14N4O3S — CID 19471360

IUPAC3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1nc(NC(=O)c2cnn(CCC(=O)O)c2)sc1C
InChIInChI=1S/C12H14N4O3S/c1-7-8(2)20-12(14-7)15-11(19)9-5-13-16(6-9)4-3-10(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)(H,14,15,19)
InChIKeyAEMZIZRMZAVJMK-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.68
Rot. Bonds5

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

3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19471360) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19471360
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1nc(NC(=O)c2cnn(CCC(=O)O)c2)sc1C
InChIInChI=1S/C12H14N4O3S/c1-7-8(2)20-12(14-7)15-11(19)9-5-13-16(6-9)4-3-10(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)(H,14,15,19)
InChIKeyAEMZIZRMZAVJMK-UHFFFAOYSA-N
XLogP1.68
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19471360) is 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid is Cc1nc(NC(=O)c2cnn(CCC(=O)O)c2)sc1C.
What is the InChIKey of 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is AEMZIZRMZAVJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-7-8(2)20-12(14-7)15-11(19)9-5-13-16(6-9)4-3-10(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)(H,14,15,19).
What are the key properties of 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 294.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19471360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).