(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide

C17H13FN2OS2 — CID 879028

IUPAC(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H13FN2OS2/c18-13-5-3-12(4-6-13)10-15-11-19-17(23-15)20-16(21)8-7-14-2-1-9-22-14/h1-9,11H,10H2,(H,19,20,21)/b8-7+
InChIKeyHVJJGHMSCRNRTO-BQYQJAHWSA-N
MW344.44 g/mol
LogP4.59
Rot. Bonds5

About (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 879028) has the molecular formula C17H13FN2OS2 and a molecular weight of 344.44 g/mol. Its IUPAC name is (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
PubChem CID879028
Molecular FormulaC17H13FN2OS2
Molecular Weight344.44 g/mol
Exact Mass344.05
IUPAC Name(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)Nc1ncc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H13FN2OS2/c18-13-5-3-12(4-6-13)10-15-11-19-17(23-15)20-16(21)8-7-14-2-1-9-22-14/h1-9,11H,10H2,(H,19,20,21)/b8-7+
InChIKeyHVJJGHMSCRNRTO-BQYQJAHWSA-N
XLogP4.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 2177042
(E)-3-(furan-2-yl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 726250
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 55432975
N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide
CID 91942855
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 51202299
(E)-N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 60578713
(E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 6058474
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 51202265
4-(2,5-dioxopyrrolidin-1-yl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 17034994
3-(3,4-dichlorophenyl)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 1113599
1-[(4-fluorophenyl)methyl]-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiourea
CID 8942724

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide (CID 879028) is (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)Nc1ncc(Cc2ccc(F)cc2)s1.
What is the InChIKey of (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is HVJJGHMSCRNRTO-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H13FN2OS2/c18-13-5-3-12(4-6-13)10-15-11-19-17(23-15)20-16(21)8-7-14-2-1-9-22-14/h1-9,11H,10H2,(H,19,20,21)/b8-7+.
What are the key properties of (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 344.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 879028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).