2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid

C11H14N4O2S — CID 80571471

IUPAC2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid
SMILESCc1[nH]ncc1CCCNc1ncc(C(=O)O)s1
InChIInChI=1S/C11H14N4O2S/c1-7-8(5-14-15-7)3-2-4-12-11-13-6-9(18-11)10(16)17/h5-6H,2-4H2,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyFKNQLROSYHNVCL-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.92
Rot. Bonds6

About 2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid

2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80571471) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid
PubChem CID80571471
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid
SMILESCc1[nH]ncc1CCCNc1ncc(C(=O)O)s1
InChIInChI=1S/C11H14N4O2S/c1-7-8(5-14-15-7)3-2-4-12-11-13-6-9(18-11)10(16)17/h5-6H,2-4H2,1H3,(H,12,13)(H,14,15)(H,16,17)
InChIKeyFKNQLROSYHNVCL-UHFFFAOYSA-N
XLogP1.92
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid (CID 80571471) is 2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid is Cc1[nH]ncc1CCCNc1ncc(C(=O)O)s1.
What is the InChIKey of 2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is FKNQLROSYHNVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7-8(5-14-15-7)3-2-4-12-11-13-6-9(18-11)10(16)17/h5-6H,2-4H2,1H3,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid?
2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 266.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80571471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).