(E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide

C21H19FN2OS — CID 55434215

IUPAC(E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide
SMILESCc1nc(-c2ccc(CCNC(=O)/C=C/c3ccccc3F)cc2)cs1
InChIInChI=1S/C21H19FN2OS/c1-15-24-20(14-26-15)18-8-6-16(7-9-18)12-13-23-21(25)11-10-17-4-2-3-5-19(17)22/h2-11,14H,12-13H2,1H3,(H,23,25)/b11-10+
InChIKeyFFUHFMRGKGBCRR-ZHACJKMWSA-N
MW366.46 g/mol
LogP4.63
Rot. Bonds6

About (E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide

(E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide (PubChem CID 55434215) has the molecular formula C21H19FN2OS and a molecular weight of 366.46 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide
PubChem CID55434215
Molecular FormulaC21H19FN2OS
Molecular Weight366.46 g/mol
Exact Mass366.12
IUPAC Name(E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide
SMILESCc1nc(-c2ccc(CCNC(=O)/C=C/c3ccccc3F)cc2)cs1
InChIInChI=1S/C21H19FN2OS/c1-15-24-20(14-26-15)18-8-6-16(7-9-18)12-13-23-21(25)11-10-17-4-2-3-5-19(17)22/h2-11,14H,12-13H2,1H3,(H,23,25)/b11-10+
InChIKeyFFUHFMRGKGBCRR-ZHACJKMWSA-N
XLogP4.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.63
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-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164
3-[3-(furan-2-yl)prop-2-enoylamino]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 55615934
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 25401259
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166
4-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837231
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide
CID 9392275
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]prop-2-enamide
CID 24509057
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
2,4-dichloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 108725447

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide (CID 55434215) is (E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide is Cc1nc(-c2ccc(CCNC(=O)/C=C/c3ccccc3F)cc2)cs1.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide?
The InChIKey is FFUHFMRGKGBCRR-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H19FN2OS/c1-15-24-20(14-26-15)18-8-6-16(7-9-18)12-13-23-21(25)11-10-17-4-2-3-5-19(17)22/h2-11,14H,12-13H2,1H3,(H,23,25)/b11-10+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide?
(E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide has a molecular weight of 366.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]prop-2-enamide is sourced from PubChem (CID 55434215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).