2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid

C10H11N5O3S — CID 150022360

IUPAC2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESN[C@@H](Cn1cccn1)C(=O)Nc1nc(C(=O)O)cs1
InChIInChI=1S/C10H11N5O3S/c11-6(4-15-3-1-2-12-15)8(16)14-10-13-7(5-19-10)9(17)18/h1-3,5-6H,4,11H2,(H,17,18)(H,13,14,16)/t6-/m0/s1
InChIKeyDFMXKKCUQNILQQ-LURJTMIESA-N
MW281.30 g/mol
LogP0.00
Rot. Bonds5

About 2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid

2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 150022360) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid
PubChem CID150022360
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid
SMILESN[C@@H](Cn1cccn1)C(=O)Nc1nc(C(=O)O)cs1
InChIInChI=1S/C10H11N5O3S/c11-6(4-15-3-1-2-12-15)8(16)14-10-13-7(5-19-10)9(17)18/h1-3,5-6H,4,11H2,(H,17,18)(H,13,14,16)/t6-/m0/s1
InChIKeyDFMXKKCUQNILQQ-LURJTMIESA-N
XLogP0.00
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid (CID 150022360) is 2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid is N[C@@H](Cn1cccn1)C(=O)Nc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DFMXKKCUQNILQQ-LURJTMIESA-N. The full InChI is InChI=1S/C10H11N5O3S/c11-6(4-15-3-1-2-12-15)8(16)14-10-13-7(5-19-10)9(17)18/h1-3,5-6H,4,11H2,(H,17,18)(H,13,14,16)/t6-/m0/s1.
What are the key properties of 2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid?
2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 281.30 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 150022360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).