2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

C11H10F3N3O2S — CID 103572387

IUPAC2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCn1cc(-c2nc(C(F)(F)F)c(C(=O)O)s2)cn1
InChIInChI=1S/C11H10F3N3O2S/c1-2-3-17-5-6(4-15-17)9-16-8(11(12,13)14)7(20-9)10(18)19/h4-5H,2-3H2,1H3,(H,18,19)
InChIKeyGWCBPTUTGRTEOT-UHFFFAOYSA-N
MW305.28 g/mol
LogP3.13
Rot. Bonds4

About 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 103572387) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID103572387
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCn1cc(-c2nc(C(F)(F)F)c(C(=O)O)s2)cn1
InChIInChI=1S/C11H10F3N3O2S/c1-2-3-17-5-6(4-15-17)9-16-8(11(12,13)14)7(20-9)10(18)19/h4-5H,2-3H2,1H3,(H,18,19)
InChIKeyGWCBPTUTGRTEOT-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid (CID 103572387) is 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is CCCn1cc(-c2nc(C(F)(F)F)c(C(=O)O)s2)cn1.
What is the InChIKey of 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is GWCBPTUTGRTEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-2-3-17-5-6(4-15-17)9-16-8(11(12,13)14)7(20-9)10(18)19/h4-5H,2-3H2,1H3,(H,18,19).
What are the key properties of 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid?
2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 305.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 103572387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).