5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

C20H12ClFN4OS2 — CID 33479075

IUPAC5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2csc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C20H12ClFN4OS2/c21-16(10-15-11-28-18(24-15)12-6-8-13(22)9-7-12)19-25-26-20(29-19)17(27)23-14-4-2-1-3-5-14/h1-11H,(H,23,27)/b16-10-
InChIKeyKTUXOUKLTJNRPU-YBEGLDIGSA-N
MW442.93 g/mol
LogP5.79
Rot. Bonds5

About 5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 33479075) has the molecular formula C20H12ClFN4OS2 and a molecular weight of 442.93 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID33479075
Molecular FormulaC20H12ClFN4OS2
Molecular Weight442.93 g/mol
Exact Mass442.01
IUPAC Name5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2csc(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C20H12ClFN4OS2/c21-16(10-15-11-28-18(24-15)12-6-8-13(22)9-7-12)19-25-26-20(29-19)17(27)23-14-4-2-1-3-5-14/h1-11H,(H,23,27)/b16-10-
InChIKeyKTUXOUKLTJNRPU-YBEGLDIGSA-N
XLogP5.79
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.93
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 33477936
5-[(Z)-2-(5-bromo-2-fluorophenyl)-1-chloroethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 24632983
5-[(Z)-1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 55545026
5-[(E)-1-chloro-2-(4-propan-2-ylphenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 47019876
methyl 4-[(Z)-2-chloro-2-[5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]ethenyl]benzoate
CID 31760914
5-[(Z)-1-chloro-2-[4-(difluoromethoxy)phenyl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 24632938
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-phenyloxamide
CID 7522158
5-[(Z)-2-(2-bromophenyl)-1-chloroethenyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46583733
5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 33479127
5-[(Z)-1-chloro-2-(4-prop-2-enoxyphenyl)ethenyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 31761237
5-[(Z)-1-chloro-2-(2-chlorophenyl)ethenyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46583754
5-[(Z)-1-chloro-2-[4-(1,2,4-triazol-1-yl)phenyl]ethenyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 55545165

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 33479075) is 5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2csc(-c3ccc(F)cc3)n2)s1.
What is the InChIKey of 5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KTUXOUKLTJNRPU-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H12ClFN4OS2/c21-16(10-15-11-28-18(24-15)12-6-8-13(22)9-7-12)19-25-26-20(29-19)17(27)23-14-4-2-1-3-5-14/h1-11H,(H,23,27)/b16-10-.
What are the key properties of 5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 442.93 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 33479075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).