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

C17H15N3OS — CID 4191834

IUPAC3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cccc(C(=O)Nc2nnc(-c3cccc(C)c3)s2)c1
InChIInChI=1S/C17H15N3OS/c1-11-5-3-7-13(9-11)15(21)18-17-20-19-16(22-17)14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H,18,20,21)
InChIKeyNPLCSRWZQNVYFC-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.07
Rot. Bonds3

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

3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 4191834) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID4191834
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cccc(C(=O)Nc2nnc(-c3cccc(C)c3)s2)c1
InChIInChI=1S/C17H15N3OS/c1-11-5-3-7-13(9-11)15(21)18-17-20-19-16(22-17)14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H,18,20,21)
InChIKeyNPLCSRWZQNVYFC-UHFFFAOYSA-N
XLogP4.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 82176812
3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1080950
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 16813777
4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 977301
4-tert-butyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1002981
3-methyl-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45020577
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 4191915
2-bromo-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191838
2-chloro-6-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 23458586
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 4111551
2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 4117288

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 4191834) is 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is Cc1cccc(C(=O)Nc2nnc(-c3cccc(C)c3)s2)c1.
What is the InChIKey of 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is NPLCSRWZQNVYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-11-5-3-7-13(9-11)15(21)18-17-20-19-16(22-17)14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H,18,20,21).
What are the key properties of 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide?
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 309.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 4191834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).