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

C11H11N3OS — CID 12679001

IUPACN-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(N(C)C(=O)c2ccccc2)s1
InChIInChI=1S/C11H11N3OS/c1-8-12-13-11(16-8)14(2)10(15)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyDNRPANYGQOCDEW-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.12
Rot. Bonds2

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

N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 12679001) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID12679001
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(N(C)C(=O)c2ccccc2)s1
InChIInChI=1S/C11H11N3OS/c1-8-12-13-11(16-8)14(2)10(15)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyDNRPANYGQOCDEW-UHFFFAOYSA-N
XLogP2.12
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 1447078
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide
CID 21315328
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 108741998
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 1447082
N-methyl-N-(5-methylsulfinyl-1,3-thiazol-2-yl)benzamide
CID 123657226
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-benzoyl-N-methylbenzamide
CID 4613245
N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 58663770
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 146148165
N-(4,6-dichloropyrimidin-5-yl)-N-methylbenzamide
CID 86618738
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 654941
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
3-bromo-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 108764498

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 12679001) is N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(N(C)C(=O)c2ccccc2)s1.
What is the InChIKey of N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is DNRPANYGQOCDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-12-13-11(16-8)14(2)10(15)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 233.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 12679001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).