1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone

C19H18FN3O2S — CID 25266944

IUPAC1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1s/c(=N\c2ccc(-c3ccc(F)cc3)nc2)n(CCO)c1C
InChIInChI=1S/C19H18FN3O2S/c1-12-18(13(2)25)26-19(23(12)9-10-24)22-16-7-8-17(21-11-16)14-3-5-15(20)6-4-14/h3-8,11,24H,9-10H2,1-2H3/b22-19-
InChIKeyXWUMXFBTLSPSIJ-QOCHGBHMSA-N
MW371.44 g/mol
LogP3.49
Rot. Bonds5

About 1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 25266944) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID25266944
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1s/c(=N\c2ccc(-c3ccc(F)cc3)nc2)n(CCO)c1C
InChIInChI=1S/C19H18FN3O2S/c1-12-18(13(2)25)26-19(23(12)9-10-24)22-16-7-8-17(21-11-16)14-3-5-15(20)6-4-14/h3-8,11,24H,9-10H2,1-2H3/b22-19-
InChIKeyXWUMXFBTLSPSIJ-QOCHGBHMSA-N
XLogP3.49
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-hydroxyethyl)-4-methyl-2-(4-methylphenyl)imino-1,3-thiazol-5-yl]ethanone
CID 16955784
1-[3-(2-hydroxyethyl)-2-(4-methoxyphenyl)imino-4-methyl-1,3-thiazol-5-yl]ethanone
CID 16955781
1-[3-(2-hydroxyethyl)-4-methyl-2-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imino-1,3-thiazol-5-yl]ethanone
CID 25271472
3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide
CID 25271135
2-[2-(4-fluorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 695761
1-[2-(4-ethylphenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
CID 138392880
1-[2-(4-chlorophenyl)imino-4-methyl-3-(2-phenylethyl)-1,3-thiazol-5-yl]ethanone
CID 138392977
1-[2-(4-ethoxyphenyl)imino-4-methyl-3-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanone
CID 24952217
1-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224521
1-[4-methyl-2-phenylimino-3-(2-piperazin-1-ylethyl)-1,3-thiazol-5-yl]ethanone;hydrochloride
CID 45135180
1-[3-ethyl-4-methyl-2-(4-pyrrolidin-1-ylphenyl)imino-1,3-thiazol-5-yl]ethanone;hydrochloride
CID 68833067
1-[2-(4-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone
CID 7422610

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 25266944) is 1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1s/c(=N\c2ccc(-c3ccc(F)cc3)nc2)n(CCO)c1C.
What is the InChIKey of 1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is XWUMXFBTLSPSIJ-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-12-18(13(2)25)26-19(23(12)9-10-24)22-16-7-8-17(21-11-16)14-3-5-15(20)6-4-14/h3-8,11,24H,9-10H2,1-2H3/b22-19-.
What are the key properties of 1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 371.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(4-fluorophenyl)-3-pyridinyl]imino]-3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 25266944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).