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

C24H16ClFN2OS — CID 108770202

IUPAC(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C24H16ClFN2OS/c25-19-8-4-18(5-9-19)24-28-22(15-30-24)17-6-12-21(13-7-17)27-23(29)14-3-16-1-10-20(26)11-2-16/h1-15H,(H,27,29)/b14-3+
InChIKeyOLAIYNNXJUYLDK-LZWSPWQCSA-N
MW434.92 g/mol
LogP6.92
Rot. Bonds5

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

(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 108770202) has the molecular formula C24H16ClFN2OS and a molecular weight of 434.92 g/mol. Its IUPAC name is (E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID108770202
Molecular FormulaC24H16ClFN2OS
Molecular Weight434.92 g/mol
Exact Mass434.07
IUPAC Name(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C24H16ClFN2OS/c25-19-8-4-18(5-9-19)24-28-22(15-30-24)17-6-12-21(13-7-17)27-23(29)14-3-16-1-10-20(26)11-2-16/h1-15H,(H,27,29)/b14-3+
InChIKeyOLAIYNNXJUYLDK-LZWSPWQCSA-N
XLogP6.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 56.92
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

(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 108748130
(E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 28865321
(E)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 8502228
(E)-3-(2,4-dichlorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108751443
(E)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 6139011
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
3-(3,4-dichlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4609730
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3,4-trifluorobenzamide
CID 108748174
2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748184
3-(4-fluorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4188807
(E)-3-(4-fluorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 6031986

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide (CID 108770202) is (E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of (E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is OLAIYNNXJUYLDK-LZWSPWQCSA-N. The full InChI is InChI=1S/C24H16ClFN2OS/c25-19-8-4-18(5-9-19)24-28-22(15-30-24)17-6-12-21(13-7-17)27-23(29)14-3-16-1-10-20(26)11-2-16/h1-15H,(H,27,29)/b14-3+.
What are the key properties of (E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 434.92 g/mol, XLogP of 6.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 108770202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).