3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide

C19H15FN2OS — CID 4812506

IUPAC3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
SMILESCc1csc(N(C(=O)C=Cc2cccc(F)c2)c2ccccc2)n1
InChIInChI=1S/C19H15FN2OS/c1-14-13-24-19(21-14)22(17-8-3-2-4-9-17)18(23)11-10-15-6-5-7-16(20)12-15/h2-13H,1H3
InChIKeyHUJYKJCMMKTJEE-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.97
Rot. Bonds4

About 3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide

3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide (PubChem CID 4812506) has the molecular formula C19H15FN2OS and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
PubChem CID4812506
Molecular FormulaC19H15FN2OS
Molecular Weight338.41 g/mol
Exact Mass338.09
IUPAC Name3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
SMILESCc1csc(N(C(=O)C=Cc2cccc(F)c2)c2ccccc2)n1
InChIInChI=1S/C19H15FN2OS/c1-14-13-24-19(21-14)22(17-8-3-2-4-9-17)18(23)11-10-15-6-5-7-16(20)12-15/h2-13H,1H3
InChIKeyHUJYKJCMMKTJEE-UHFFFAOYSA-N
XLogP4.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.97
H-Bond Donors ≤ 50
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 3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide (CID 4812506) is 3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide is Cc1csc(N(C(=O)C=Cc2cccc(F)c2)c2ccccc2)n1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
The InChIKey is HUJYKJCMMKTJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2OS/c1-14-13-24-19(21-14)22(17-8-3-2-4-9-17)18(23)11-10-15-6-5-7-16(20)12-15/h2-13H,1H3.
What are the key properties of 3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide?
3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide is sourced from PubChem (CID 4812506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).