3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide

C11H11N3OS — CID 739253

IUPAC3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nncs2)cc1C
InChIInChI=1S/C11H11N3OS/c1-7-3-4-9(5-8(7)2)10(15)13-11-14-12-6-16-11/h3-6H,1-2H3,(H,13,14,15)
InChIKeyHYDBLSBZRQBXGZ-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.41
Rot. Bonds2

About 3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide

3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 739253) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID739253
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nncs2)cc1C
InChIInChI=1S/C11H11N3OS/c1-7-3-4-9(5-8(7)2)10(15)13-11-14-12-6-16-11/h3-6H,1-2H3,(H,13,14,15)
InChIKeyHYDBLSBZRQBXGZ-UHFFFAOYSA-N
XLogP2.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370773
4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 80973968
5-amino-2,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 102704945
3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16813790
4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17018933
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 82342443
3,3-dimethyl-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-indole-6-carboxamide
CID 19832363
3-hydroxy-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370606
N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-carboxamide
CID 130649691
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 64555861
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide
CID 2885797

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 739253) is 3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nncs2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HYDBLSBZRQBXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-3-4-9(5-8(7)2)10(15)13-11-14-12-6-16-11/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide?
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 233.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 739253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).