5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline

C18H15FN2OS — CID 82152301

IUPAC5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline
SMILESC=CCOc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1N
InChIInChI=1S/C18H15FN2OS/c1-2-9-22-17-8-5-13(10-15(17)20)18-21-16(11-23-18)12-3-6-14(19)7-4-12/h2-8,10-11H,1,9,20H2
InChIKeyMBTRGKLMTDHZEI-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.76
Rot. Bonds5

About 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline

5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline (PubChem CID 82152301) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline
PubChem CID82152301
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline
SMILESC=CCOc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1N
InChIInChI=1S/C18H15FN2OS/c1-2-9-22-17-8-5-13(10-15(17)20)18-21-16(11-23-18)12-3-6-14(19)7-4-12/h2-8,10-11H,1,9,20H2
InChIKeyMBTRGKLMTDHZEI-UHFFFAOYSA-N
XLogP4.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol
CID 82152286
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
CID 82152285
5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-prop-2-enoxyaniline
CID 82152376
N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine
CID 5270991
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108761354
4-(4-fluorophenyl)-2-(2-propan-2-yloxy-4-pyridinyl)-1,3-thiazole
CID 103597382
4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
CID 79839828
4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 168950454
2-[2-amino-4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenoxy]acetonitrile
CID 93205683
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667850
4-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 8963152

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline?
The IUPAC name of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline (CID 82152301) is 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline.
What is the SMILES notation for 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline?
The canonical SMILES for 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline is C=CCOc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1N.
What is the InChIKey of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline?
The InChIKey is MBTRGKLMTDHZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-2-9-22-17-8-5-13(10-15(17)20)18-21-16(11-23-18)12-3-6-14(19)7-4-12/h2-8,10-11H,1,9,20H2.
What are the key properties of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline?
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline has a molecular weight of 326.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline is sourced from PubChem (CID 82152301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).