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

C17H10ClF2N3OS — CID 33477936

IUPAC5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(F)c(F)c2)s1
InChIInChI=1S/C17H10ClF2N3OS/c18-12(8-10-6-7-13(19)14(20)9-10)16-22-23-17(25-16)15(24)21-11-4-2-1-3-5-11/h1-9H,(H,21,24)/b12-8-
InChIKeyDOUUYYMQQQYFHA-WQLSENKSSA-N
MW377.80 g/mol
LogP4.81
Rot. Bonds4

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

5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 33477936) has the molecular formula C17H10ClF2N3OS and a molecular weight of 377.80 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID33477936
Molecular FormulaC17H10ClF2N3OS
Molecular Weight377.80 g/mol
Exact Mass377.02
IUPAC Name5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(F)c(F)c2)s1
InChIInChI=1S/C17H10ClF2N3OS/c18-12(8-10-6-7-13(19)14(20)9-10)16-22-23-17(25-16)15(24)21-11-4-2-1-3-5-11/h1-9H,(H,21,24)/b12-8-
InChIKeyDOUUYYMQQQYFHA-WQLSENKSSA-N
XLogP4.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(Z)-2-(5-bromo-2-fluorophenyl)-1-chloroethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 24632983
5-[(E)-1-chloro-2-(4-propan-2-ylphenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 47019876
5-[(Z)-1-chloro-2-[4-(difluoromethoxy)phenyl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 24632938
5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 33479127
5-[(Z)-1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 55545026
5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 18272540
5-[(Z)-1-chloro-2-(4-methyl-3-nitrophenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 24561813
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-prop-2-enoxyphenyl)ethenyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 31761237
5-[(Z)-1-chloro-2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 33479075
5-[(Z)-1-chloro-2-[4-(trifluoromethyl)phenyl]ethenyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 33484728
5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 33485281

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 33477936) is 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(F)c(F)c2)s1.
What is the InChIKey of 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DOUUYYMQQQYFHA-WQLSENKSSA-N. The full InChI is InChI=1S/C17H10ClF2N3OS/c18-12(8-10-6-7-13(19)14(20)9-10)16-22-23-17(25-16)15(24)21-11-4-2-1-3-5-11/h1-9H,(H,21,24)/b12-8-.
What are the key properties of 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 377.80 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 33477936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).