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

C17H14ClN5O3S — CID 24662360

IUPAC5-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCn1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)c(=O)n(C)c1=O
InChIInChI=1S/C17H14ClN5O3S/c1-22-9-10(16(25)23(2)17(22)26)8-12(18)14-20-21-15(27-14)13(24)19-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,19,24)/b12-8-
InChIKeyFOZQMYYXIIKJJX-WQLSENKSSA-N
MW403.85 g/mol
LogP1.92
Rot. Bonds4

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

5-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 24662360) has the molecular formula C17H14ClN5O3S and a molecular weight of 403.85 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID24662360
Molecular FormulaC17H14ClN5O3S
Molecular Weight403.85 g/mol
Exact Mass403.05
IUPAC Name5-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCn1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)c(=O)n(C)c1=O
InChIInChI=1S/C17H14ClN5O3S/c1-22-9-10(16(25)23(2)17(22)26)8-12(18)14-20-21-15(27-14)13(24)19-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,19,24)/b12-8-
InChIKeyFOZQMYYXIIKJJX-WQLSENKSSA-N
XLogP1.92
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(E)-1-chloro-2-(4-propan-2-ylphenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 47019876
5-[(Z)-2-(5-bromo-2-fluorophenyl)-1-chloroethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 24632983
5-[(Z)-2-(2-bromophenyl)-1-chloroethenyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46583733
5-[(Z)-1-chloro-2-(3,4-difluorophenyl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 33477936
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-(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-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 33479075
4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11748395
5-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 18272540
5-[(Z)-1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 55545026
1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 84551318

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 24662360) is 5-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is Cn1cc(/C=C(\Cl)c2nnc(C(=O)Nc3ccccc3)s2)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FOZQMYYXIIKJJX-WQLSENKSSA-N. The full InChI is InChI=1S/C17H14ClN5O3S/c1-22-9-10(16(25)23(2)17(22)26)8-12(18)14-20-21-15(27-14)13(24)19-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,19,24)/b12-8-.
What are the key properties of 5-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 403.85 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-chloro-2-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 24662360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).