4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole

C15H13FN2S — CID 2804349

IUPAC4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESCc1cc(-c2csc(-c3ccc[nH]3)n2)cc(C)c1F
InChIInChI=1S/C15H13FN2S/c1-9-6-11(7-10(2)14(9)16)13-8-19-15(18-13)12-4-3-5-17-12/h3-8,17H,1-2H3
InChIKeyASZVWCFEMBUXEP-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.56
Rot. Bonds2

About 4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole

4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole (PubChem CID 2804349) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole
PubChem CID2804349
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESCc1cc(-c2csc(-c3ccc[nH]3)n2)cc(C)c1F
InChIInChI=1S/C15H13FN2S/c1-9-6-11(7-10(2)14(9)16)13-8-19-15(18-13)12-4-3-5-17-12/h3-8,17H,1-2H3
InChIKeyASZVWCFEMBUXEP-UHFFFAOYSA-N
XLogP4.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The IUPAC name of 4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole (CID 2804349) is 4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole is Cc1cc(-c2csc(-c3ccc[nH]3)n2)cc(C)c1F.
What is the InChIKey of 4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The InChIKey is ASZVWCFEMBUXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-9-6-11(7-10(2)14(9)16)13-8-19-15(18-13)12-4-3-5-17-12/h3-8,17H,1-2H3.
What are the key properties of 4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole?
4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole has a molecular weight of 272.35 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3,5-dimethylphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole is sourced from PubChem (CID 2804349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).