(E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide

C15H15FN2OS — CID 26470085

IUPAC(E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCC(C)c1csc(NC(=O)/C=C/c2cccc(F)c2)n1
InChIInChI=1S/C15H15FN2OS/c1-10(2)13-9-20-15(17-13)18-14(19)7-6-11-4-3-5-12(16)8-11/h3-10H,1-2H3,(H,17,18,19)/b7-6+
InChIKeyZXBTYAYEWBOLAE-VOTSOKGWSA-N
MW290.36 g/mol
LogP4.06
Rot. Bonds4

About (E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide

(E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 26470085) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID26470085
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name(E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCC(C)c1csc(NC(=O)/C=C/c2cccc(F)c2)n1
InChIInChI=1S/C15H15FN2OS/c1-10(2)13-9-20-15(17-13)18-14(19)7-6-11-4-3-5-12(16)8-11/h3-10H,1-2H3,(H,17,18,19)/b7-6+
InChIKeyZXBTYAYEWBOLAE-VOTSOKGWSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide (CID 26470085) is (E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide is CC(C)c1csc(NC(=O)/C=C/c2cccc(F)c2)n1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is ZXBTYAYEWBOLAE-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-10(2)13-9-20-15(17-13)18-14(19)7-6-11-4-3-5-12(16)8-11/h3-10H,1-2H3,(H,17,18,19)/b7-6+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 290.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 26470085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).