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

C18H11ClN4OS — CID 33479127

IUPAC5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESN#Cc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)c1
InChIInChI=1S/C18H11ClN4OS/c19-15(10-12-5-4-6-13(9-12)11-20)17-22-23-18(25-17)16(24)21-14-7-2-1-3-8-14/h1-10H,(H,21,24)/b15-10-
InChIKeyFZWBQABAHGABNB-GDNBJRDFSA-N
MW366.83 g/mol
LogP4.40
Rot. Bonds4

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

5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 33479127) has the molecular formula C18H11ClN4OS and a molecular weight of 366.83 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID33479127
Molecular FormulaC18H11ClN4OS
Molecular Weight366.83 g/mol
Exact Mass366.03
IUPAC Name5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESN#Cc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)c1
InChIInChI=1S/C18H11ClN4OS/c19-15(10-12-5-4-6-13(9-12)11-20)17-22-23-18(25-17)16(24)21-14-7-2-1-3-8-14/h1-10H,(H,21,24)/b15-10-
InChIKeyFZWBQABAHGABNB-GDNBJRDFSA-N
XLogP4.40
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 33477936
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-[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-(difluoromethoxy)phenyl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 24632938
5-[(Z)-2-(5-bromo-2-fluorophenyl)-1-chloroethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 24632983
3-(2,2-dichloroethenyl)benzonitrile
CID 5324892
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
5-[(Z)-1-chloro-2-(1-phenylpyrazol-4-yl)ethenyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 33485281
5-[(Z)-1-chloro-2-(4-prop-2-enoxyphenyl)ethenyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 33484880
5-[(Z)-1-chloro-2-(4-prop-2-enoxyphenyl)ethenyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 31761237
N-(3-cyanophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200693

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 33479127) is 5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is N#Cc1cccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)c1.
What is the InChIKey of 5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FZWBQABAHGABNB-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H11ClN4OS/c19-15(10-12-5-4-6-13(9-12)11-20)17-22-23-18(25-17)16(24)21-14-7-2-1-3-8-14/h1-10H,(H,21,24)/b15-10-.
What are the key properties of 5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 366.83 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-chloro-2-(3-cyanophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 33479127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).