5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide

C23H17ClN4O3S — CID 1493673

IUPAC5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3ccccc3)/c(=N/C(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C23H17ClN4O3S/c1-31-19-13-11-18(12-14-19)28-27-20(22(30)25-17-5-3-2-4-6-17)23(32-28)26-21(29)15-7-9-16(24)10-8-15/h2-14H,1H3,(H,25,30)/b26-23-
InChIKeyWUSAFIWUSRQGKA-RWEWTDSWSA-N
MW464.93 g/mol
LogP4.59
Rot. Bonds5

About 5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide

5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide (PubChem CID 1493673) has the molecular formula C23H17ClN4O3S and a molecular weight of 464.93 g/mol. Its IUPAC name is 5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide
PubChem CID1493673
Molecular FormulaC23H17ClN4O3S
Molecular Weight464.93 g/mol
Exact Mass464.07
IUPAC Name5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3ccccc3)/c(=N/C(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C23H17ClN4O3S/c1-31-19-13-11-18(12-14-19)28-27-20(22(30)25-17-5-3-2-4-6-17)23(32-28)26-21(29)15-7-9-16(24)10-8-15/h2-14H,1H3,(H,25,30)/b26-23-
InChIKeyWUSAFIWUSRQGKA-RWEWTDSWSA-N
XLogP4.59
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxybenzoyl)imino-2-(4-methoxyphenyl)-N-methylthiadiazole-4-carboxamide
CID 1493672
4-chloro-N-[2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)thiadiazol-5-ylidene]benzamide
CID 17038448
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745529
benzamide;1-chloro-4-methoxybenzene;N-(4-methoxyphenyl)benzamide
CID 161282145
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2898102
4-chloro-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17335383
4-chloro-N-[3-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125852
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
CID 154079523
2-deuterio-4-methoxy-N-phenylbenzamide
CID 141045741

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide?
The IUPAC name of 5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide (CID 1493673) is 5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide is COc1ccc(-n2nc(C(=O)Nc3ccccc3)/c(=N/C(=O)c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide?
The InChIKey is WUSAFIWUSRQGKA-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H17ClN4O3S/c1-31-19-13-11-18(12-14-19)28-27-20(22(30)25-17-5-3-2-4-6-17)23(32-28)26-21(29)15-7-9-16(24)10-8-15/h2-14H,1H3,(H,25,30)/b26-23-.
What are the key properties of 5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide?
5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide has a molecular weight of 464.93 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobenzoyl)imino-2-(4-methoxyphenyl)-N-phenylthiadiazole-4-carboxamide is sourced from PubChem (CID 1493673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).