N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C15H19N3OS2 — CID 3977504

IUPACN-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccccc1Nc1nnc(SCC2CCCCO2)s1
InChIInChI=1S/C15H19N3OS2/c1-11-6-2-3-8-13(11)16-14-17-18-15(21-14)20-10-12-7-4-5-9-19-12/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,16,17)
InChIKeyWWZSUUWEGNXGHP-UHFFFAOYSA-N
MW321.47 g/mol
LogP4.25
Rot. Bonds5

About N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 3977504) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID3977504
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC NameN-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccccc1Nc1nnc(SCC2CCCCO2)s1
InChIInChI=1S/C15H19N3OS2/c1-11-6-2-3-8-13(11)16-14-17-18-15(21-14)20-10-12-7-4-5-9-19-12/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,16,17)
InChIKeyWWZSUUWEGNXGHP-UHFFFAOYSA-N
XLogP4.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine 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

5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 2468617
3-[[5-(4-Methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one
CID 3279719
N-(4-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 6915253
N-(2,3-dimethylphenyl)-5-(2-oxanylmethylthio)-1,3,4-thiadiazol-2-amine
CID 15945197
N-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 2114326
N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
CID 2392034
N-(3-methylphenyl)-5-(2-oxanylmethylthio)-1,3,4-thiadiazol-2-amine
CID 15945209
N-(2-fluorophenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 4791797
5-(benzylthio)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 806996
Methyl 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 2585798
N-(2-methylphenyl)-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 2585799
Ethyl 2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 4879834

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 3977504) is N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is Cc1ccccc1Nc1nnc(SCC2CCCCO2)s1.
What is the InChIKey of N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WWZSUUWEGNXGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-11-6-2-3-8-13(11)16-14-17-18-15(21-14)20-10-12-7-4-5-9-19-12/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,16,17).
What are the key properties of N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 321.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3977504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).