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

C12H9FN2OS — CID 2666608

IUPAC(E)-3-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1nccs1
InChIInChI=1S/C12H9FN2OS/c13-10-3-1-2-9(8-10)4-5-11(16)15-12-14-6-7-17-12/h1-8H,(H,14,15,16)/b5-4+
InChIKeySHTMRQNUGGJOJF-SNAWJCMRSA-N
MW248.28 g/mol
LogP2.93
Rot. Bonds3

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

(E)-3-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 2666608) has the molecular formula C12H9FN2OS and a molecular weight of 248.28 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID2666608
Molecular FormulaC12H9FN2OS
Molecular Weight248.28 g/mol
Exact Mass248.04
IUPAC Name(E)-3-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1cccc(F)c1)Nc1nccs1
InChIInChI=1S/C12H9FN2OS/c13-10-3-1-2-9(8-10)4-5-11(16)15-12-14-6-7-17-12/h1-8H,(H,14,15,16)/b5-4+
InChIKeySHTMRQNUGGJOJF-SNAWJCMRSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.93
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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Related Compounds

N-2-Thiazolylbenzamide
CID 569547
2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
Thiourea, N-(2-(2,6-difluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001093
Thiourea, N-(2-(2-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001162
Thiourea, N-(2-(3-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001163
Thiourea, N-(2-(4-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001164
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
N-Phenethyl-N'-thiazol-2-yl-oxalamide
CID 1870873
2-Fluoro-N-(1,3-thiazol-2-YL)benzamide
CID 306783
(E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 692477

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide (CID 2666608) is (E)-3-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide is O=C(/C=C/c1cccc(F)c1)Nc1nccs1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is SHTMRQNUGGJOJF-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H9FN2OS/c13-10-3-1-2-9(8-10)4-5-11(16)15-12-14-6-7-17-12/h1-8H,(H,14,15,16)/b5-4+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(3-fluorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 248.28 g/mol, XLogP of 2.93, 3 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-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 2666608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).