5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid

C9H9N5O3S — CID 110483663

IUPAC5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid
SMILESNc1nc(CC(=O)Nc2[nH]ncc2C(=O)O)cs1
InChIInChI=1S/C9H9N5O3S/c10-9-12-4(3-18-9)1-6(15)13-7-5(8(16)17)2-11-14-7/h2-3H,1H2,(H2,10,12)(H,16,17)(H2,11,13,14,15)
InChIKeyPJVQLFLBJITFFR-UHFFFAOYSA-N
MW267.27 g/mol
LogP0.33
Rot. Bonds4

About 5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid

5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid (PubChem CID 110483663) has the molecular formula C9H9N5O3S and a molecular weight of 267.27 g/mol. Its IUPAC name is 5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid
PubChem CID110483663
Molecular FormulaC9H9N5O3S
Molecular Weight267.27 g/mol
Exact Mass267.04
IUPAC Name5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid
SMILESNc1nc(CC(=O)Nc2[nH]ncc2C(=O)O)cs1
InChIInChI=1S/C9H9N5O3S/c10-9-12-4(3-18-9)1-6(15)13-7-5(8(16)17)2-11-14-7/h2-3H,1H2,(H2,10,12)(H,16,17)(H2,11,13,14,15)
InChIKeyPJVQLFLBJITFFR-UHFFFAOYSA-N
XLogP0.33
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(1H-indazol-6-yl)acetamide
CID 62800301
4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-chlorobenzoic acid
CID 62800000
2-(2-amino-1,3-thiazol-4-yl)-N-pyridin-4-ylacetamide
CID 62795383
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 55120222
2-(2-amino-1,3-thiazol-4-yl)-N-thiophen-3-ylacetamide
CID 66351961
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 112697373
2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide
CID 62798357
2-(2-amino-1,3-thiazol-4-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 62795726
2-(2-amino-1,3-thiazol-4-yl)-N-(4-iodophenyl)acetamide
CID 12686359
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 55119507
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide
CID 62795551
5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401946

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid (CID 110483663) is 5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid is Nc1nc(CC(=O)Nc2[nH]ncc2C(=O)O)cs1.
What is the InChIKey of 5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid?
The InChIKey is PJVQLFLBJITFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S/c10-9-12-4(3-18-9)1-6(15)13-7-5(8(16)17)2-11-14-7/h2-3H,1H2,(H2,10,12)(H,16,17)(H2,11,13,14,15).
What are the key properties of 5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid?
5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid has a molecular weight of 267.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 110483663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).