N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide

C12H13N3OS2 — CID 2475480

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
SMILESCCc1nnc(NC(=O)c2ccccc2SC)s1
InChIInChI=1S/C12H13N3OS2/c1-3-10-14-15-12(18-10)13-11(16)8-6-4-5-7-9(8)17-2/h4-7H,3H2,1-2H3,(H,13,15,16)
InChIKeyKNOCFBKNQHXVOT-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.07
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide (PubChem CID 2475480) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
PubChem CID2475480
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
SMILESCCc1nnc(NC(=O)c2ccccc2SC)s1
InChIInChI=1S/C12H13N3OS2/c1-3-10-14-15-12(18-10)13-11(16)8-6-4-5-7-9(8)17-2/h4-7H,3H2,1-2H3,(H,13,15,16)
InChIKeyKNOCFBKNQHXVOT-UHFFFAOYSA-N
XLogP3.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methylbutanoylamino)benzamide
CID 17311855
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 1230832
2-(cyanomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179672
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
CID 54787299
2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17321459
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxynaphthalene-2-carboxamide
CID 25480929
2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183
2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546737
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylbenzoyl)amino]benzamide
CID 17311355
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide
CID 54787169
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide
CID 4145587
2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 17311642

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide (CID 2475480) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide is CCc1nnc(NC(=O)c2ccccc2SC)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide?
The InChIKey is KNOCFBKNQHXVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-3-10-14-15-12(18-10)13-11(16)8-6-4-5-7-9(8)17-2/h4-7H,3H2,1-2H3,(H,13,15,16).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide has a molecular weight of 279.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 2475480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).