2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

C17H14ClN3OS — CID 23458586

IUPAC2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cccc(-c2nnc(NC(=O)c3c(C)cccc3Cl)s2)c1
InChIInChI=1S/C17H14ClN3OS/c1-10-5-3-7-12(9-10)16-20-21-17(23-16)19-15(22)14-11(2)6-4-8-13(14)18/h3-9H,1-2H3,(H,19,21,22)
InChIKeyAULJTIGVQONPIS-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.73
Rot. Bonds3

About 2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 23458586) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID23458586
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cccc(-c2nnc(NC(=O)c3c(C)cccc3Cl)s2)c1
InChIInChI=1S/C17H14ClN3OS/c1-10-5-3-7-12(9-10)16-20-21-17(23-16)19-15(22)14-11(2)6-4-8-13(14)18/h3-9H,1-2H3,(H,19,21,22)
InChIKeyAULJTIGVQONPIS-UHFFFAOYSA-N
XLogP4.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 977301
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 4191915
4-tert-butyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1002981
N-[5-(3,5-difluorophenyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethylbenzamide
CID 23458640
2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191838
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 16813777
N-[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 82176812
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 4111551
2-chloro-6-fluoro-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4305236
2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 4117288
4-chloro-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 4117286

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 23458586) is 2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is Cc1cccc(-c2nnc(NC(=O)c3c(C)cccc3Cl)s2)c1.
What is the InChIKey of 2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is AULJTIGVQONPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-10-5-3-7-12(9-10)16-20-21-17(23-16)19-15(22)14-11(2)6-4-8-13(14)18/h3-9H,1-2H3,(H,19,21,22).
What are the key properties of 2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 343.84 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 23458586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).