4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

C16H12ClN3OS — CID 977301

IUPAC4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1
InChIInChI=1S/C16H12ClN3OS/c1-10-3-2-4-12(9-10)15-19-20-16(22-15)18-14(21)11-5-7-13(17)8-6-11/h2-9H,1H3,(H,18,20,21)
InChIKeyYALKBLTUCABUDG-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.42
Rot. Bonds3

About 4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 977301) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is 4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID977301
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1
InChIInChI=1S/C16H12ClN3OS/c1-10-3-2-4-12(9-10)15-19-20-16(22-15)18-14(21)11-5-7-13(17)8-6-11/h2-9H,1H3,(H,18,20,21)
InChIKeyYALKBLTUCABUDG-UHFFFAOYSA-N
XLogP4.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 16813777
4-tert-butyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1002981
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
4-chloro-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 4117286
2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23458586
3-methyl-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45020577
N-[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 82176812
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 4191915
N-[5-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 155943042
2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191838
3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1080950
3-chloro-N-[3-methyl-1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 5046110

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 977301) is 4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is Cc1cccc(-c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1.
What is the InChIKey of 4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is YALKBLTUCABUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c1-10-3-2-4-12(9-10)15-19-20-16(22-15)18-14(21)11-5-7-13(17)8-6-11/h2-9H,1H3,(H,18,20,21).
What are the key properties of 4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 329.81 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 977301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).