N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

C16H11Cl2N3O2S — CID 1078967

IUPACN-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H11Cl2N3O2S/c1-23-13-5-3-2-4-11(13)14(22)19-16-21-20-15(24-16)10-7-6-9(17)8-12(10)18/h2-8H,1H3,(H,19,21,22)
InChIKeyNPTVLHMKAKJQBI-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.77
Rot. Bonds4

About N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (PubChem CID 1078967) has the molecular formula C16H11Cl2N3O2S and a molecular weight of 380.26 g/mol. Its IUPAC name is N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
PubChem CID1078967
Molecular FormulaC16H11Cl2N3O2S
Molecular Weight380.26 g/mol
Exact Mass378.99
IUPAC NameN-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C16H11Cl2N3O2S/c1-23-13-5-3-2-4-11(13)14(22)19-16-21-20-15(24-16)10-7-6-9(17)8-12(10)18/h2-8H,1H3,(H,19,21,22)
InChIKeyNPTVLHMKAKJQBI-UHFFFAOYSA-N
XLogP4.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45013631
N-(2,4-dichlorophenyl)-2-methoxybenzamide
CID 814241
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 19172987
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-chloro-2-methoxybenzamide
CID 79516243
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1398313
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
CID 7096036
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-fluoro-4-methoxybenzamide
CID 86834917
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 167980519
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-iodobenzamide
CID 3645848
N-[[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
CID 91183107
5-chloro-2-methoxy-N-[5-(1-methylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 67545332
N-(5-chloro-2-fluorophenyl)-2-methoxybenzamide
CID 8759235

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (CID 1078967) is N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The InChIKey is NPTVLHMKAKJQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O2S/c1-23-13-5-3-2-4-11(13)14(22)19-16-21-20-15(24-16)10-7-6-9(17)8-12(10)18/h2-8H,1H3,(H,19,21,22).
What are the key properties of N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide has a molecular weight of 380.26 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 1078967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).