2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid

C12H14N4O3S — CID 66380788

IUPAC2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)CCn1cccn1)c1nc(C(=O)O)cs1
InChIInChI=1S/C12H14N4O3S/c1-8(11-15-9(7-20-11)12(18)19)14-10(17)3-6-16-5-2-4-13-16/h2,4-5,7-8H,3,6H2,1H3,(H,14,17)(H,18,19)
InChIKeyVKRMHWLWZQVQPM-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.31
Rot. Bonds6

About 2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66380788) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66380788
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)CCn1cccn1)c1nc(C(=O)O)cs1
InChIInChI=1S/C12H14N4O3S/c1-8(11-15-9(7-20-11)12(18)19)14-10(17)3-6-16-5-2-4-13-16/h2,4-5,7-8H,3,6H2,1H3,(H,14,17)(H,18,19)
InChIKeyVKRMHWLWZQVQPM-UHFFFAOYSA-N
XLogP1.31
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[3-(triazol-1-yl)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380996
2-[1-[3-(ethylamino)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379246
2-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373261
2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379813
2-[1-[3-(cyclopropylamino)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379233
2-[1-[(2-propoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 114018222
3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
CID 114390009
2-[1-[(1-methylimidazol-2-yl)methylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373388
3-pyrazol-1-yl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 60912135
2-[1-[3-(2,2,2-trifluoroethoxy)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372493
N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide
CID 86822216

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66380788) is 2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid is CC(NC(=O)CCn1cccn1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VKRMHWLWZQVQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-8(11-15-9(7-20-11)12(18)19)14-10(17)3-6-16-5-2-4-13-16/h2,4-5,7-8H,3,6H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 294.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-pyrazol-1-ylpropanoylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66380788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).