2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid

C16H14FN3O2S — CID 164907353

IUPAC2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1nc(C(=O)O)cs1
InChIInChI=1S/C16H14FN3O2S/c1-9(2)20-8-18-13(10-3-5-11(17)6-4-10)14(20)15-19-12(7-23-15)16(21)22/h3-9H,1-2H3,(H,21,22)
InChIKeyNIFRFIGJQUDNHZ-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.09
Rot. Bonds4

About 2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid

2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 164907353) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID164907353
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1nc(C(=O)O)cs1
InChIInChI=1S/C16H14FN3O2S/c1-9(2)20-8-18-13(10-3-5-11(17)6-4-10)14(20)15-19-12(7-23-15)16(21)22/h3-9H,1-2H3,(H,21,22)
InChIKeyNIFRFIGJQUDNHZ-UHFFFAOYSA-N
XLogP4.09
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-fluorophenyl)-3-[1-(2-hydroxyacetyl)piperidin-4-yl]imidazol-4-yl]-1,3-thiazole-4-carboxylic acid;propan-2-amine
CID 69192051
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1,3-thiazole-4-carboxylic acid
CID 58752258
6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-2-sulfonyl-1H-pyrimidine
CID 22722069
2-[4-[2-(4-fluorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22679862
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 64542603
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
2-(3-methyl-1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid
CID 167807366
2-(3H-benzimidazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 82497800
tert-butyl 4-[5-[4-(cyclopentylcarbamoyl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)imidazol-1-yl]piperidine-1-carboxylate
CID 58752307
2-(1-methylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid
CID 82672744
methyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 67325329

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid (CID 164907353) is 2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid is CC(C)n1cnc(-c2ccc(F)cc2)c1-c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is NIFRFIGJQUDNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-9(2)20-8-18-13(10-3-5-11(17)6-4-10)14(20)15-19-12(7-23-15)16(21)22/h3-9H,1-2H3,(H,21,22).
What are the key properties of 2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid?
2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 164907353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).