2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide

C16H10Cl3N3OS — CID 1251878

IUPAC2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl3N3OS/c17-10-3-1-9(2-4-10)7-14-21-22-16(24-14)20-15(23)12-6-5-11(18)8-13(12)19/h1-6,8H,7H2,(H,20,22,23)
InChIKeyALGWNVVBRITJOO-UHFFFAOYSA-N
MW398.70 g/mol
LogP5.34
Rot. Bonds4

About 2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide

2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 1251878) has the molecular formula C16H10Cl3N3OS and a molecular weight of 398.70 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID1251878
Molecular FormulaC16H10Cl3N3OS
Molecular Weight398.70 g/mol
Exact Mass396.96
IUPAC Name2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl3N3OS/c17-10-3-1-9(2-4-10)7-14-21-22-16(24-14)20-15(23)12-6-5-11(18)8-13(12)19/h1-6,8H,7H2,(H,20,22,23)
InChIKeyALGWNVVBRITJOO-UHFFFAOYSA-N
XLogP5.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.70
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide
CID 18075087
2,4-dichloro-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3310673
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 19172987
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 796709
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2,5-dichlorobenzamide
CID 82176238
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 603022
2,4-dichloro-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
CID 54787210
2-chloro-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1095334
3-benzamido-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1302353
2,4-dichloro-N-[5-[[4-(pyridin-4-ylmethyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100559714
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide
CID 1303973
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide (CID 1251878) is 2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is ALGWNVVBRITJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3N3OS/c17-10-3-1-9(2-4-10)7-14-21-22-16(24-14)20-15(23)12-6-5-11(18)8-13(12)19/h1-6,8H,7H2,(H,20,22,23).
What are the key properties of 2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 398.70 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 1251878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).