N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide

C17H14FN3OS — CID 91942855

IUPACN-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide
SMILESCn1cnc(-c2ccc(F)cc2)c1NC(=O)C=Cc1cccs1
InChIInChI=1S/C17H14FN3OS/c1-21-11-19-16(12-4-6-13(18)7-5-12)17(21)20-15(22)9-8-14-3-2-10-23-14/h2-11H,1H3,(H,20,22)
InChIKeyGWYPETJZYUMVPG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.94
Rot. Bonds4

About N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide

N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 91942855) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide
PubChem CID91942855
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC NameN-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide
SMILESCn1cnc(-c2ccc(F)cc2)c1NC(=O)C=Cc1cccs1
InChIInChI=1S/C17H14FN3OS/c1-21-11-19-16(12-4-6-13(18)7-5-12)17(21)20-15(22)9-8-14-3-2-10-23-14/h2-11H,1H3,(H,20,22)
InChIKeyGWYPETJZYUMVPG-UHFFFAOYSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.94
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-thiophen-2-ylprop-2-enamide
CID 879028
(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 46642025
methyl 4-(4-fluorophenyl)-2-(3-thiophen-2-ylprop-2-enoylamino)thiophene-3-carboxylate
CID 3523738
N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-hydroxypyridine-2-carboxamide
CID 86801923
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 91939242
(Z)-N-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 22306140
(E)-N-quinolin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 18146464
(E)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 18151319
N-(1H-pyrazol-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 61393043
N-[4-(dimethylamino)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 3336553
N-(3-amino-4-fluorophenyl)-3-thiophen-2-ylprop-2-enamide
CID 76932979
(E)-N-(2-pyrazol-1-ylpyrimidin-5-yl)-3-thiophen-2-ylprop-2-enamide
CID 122300255

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide (CID 91942855) is N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide is Cn1cnc(-c2ccc(F)cc2)c1NC(=O)C=Cc1cccs1.
What is the InChIKey of N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is GWYPETJZYUMVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-21-11-19-16(12-4-6-13(18)7-5-12)17(21)20-15(22)9-8-14-3-2-10-23-14/h2-11H,1H3,(H,20,22).
What are the key properties of N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide?
N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 327.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 91942855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).