[4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine

C11H13N3OS3 — CID 115383195

IUPAC[4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCOc1ccc(CN)c(Sc2nnc(SC)s2)c1
InChIInChI=1S/C11H13N3OS3/c1-15-8-4-3-7(6-12)9(5-8)17-11-14-13-10(16-2)18-11/h3-5H,6,12H2,1-2H3
InChIKeyFJURZSMUUBHVEB-UHFFFAOYSA-N
MW299.45 g/mol
LogP2.88
Rot. Bonds5

About [4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine

[4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine (PubChem CID 115383195) has the molecular formula C11H13N3OS3 and a molecular weight of 299.45 g/mol. Its IUPAC name is [4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
PubChem CID115383195
Molecular FormulaC11H13N3OS3
Molecular Weight299.45 g/mol
Exact Mass299.02
IUPAC Name[4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
SMILESCOc1ccc(CN)c(Sc2nnc(SC)s2)c1
InChIInChI=1S/C11H13N3OS3/c1-15-8-4-3-7(6-12)9(5-8)17-11-14-13-10(16-2)18-11/h3-5H,6,12H2,1-2H3
InChIKeyFJURZSMUUBHVEB-UHFFFAOYSA-N
XLogP2.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine 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-[2-(aminomethyl)-5-methoxyphenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 81305407
[4-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 81304317
[2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine
CID 81303475
[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine
CID 115383212
[2-[(5-chloro-2-pyridinyl)sulfanyl]-4-methoxyphenyl]methanamine
CID 81304113
[2-(1,3-benzoxazol-2-ylsulfanyl)-4-methoxyphenyl]methanamine
CID 81304611
4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382743
2-(aminomethyl)-5-methoxyphenol;ethane
CID 154662698
5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382763
3-[4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]prop-2-yn-1-ol
CID 115383351
[2-(cyclopentylmethylsulfanyl)-4-methoxyphenyl]methanamine
CID 81305086
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine?
The IUPAC name of [4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine (CID 115383195) is [4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine?
The canonical SMILES for [4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine is COc1ccc(CN)c(Sc2nnc(SC)s2)c1.
What is the InChIKey of [4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine?
The InChIKey is FJURZSMUUBHVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS3/c1-15-8-4-3-7(6-12)9(5-8)17-11-14-13-10(16-2)18-11/h3-5H,6,12H2,1-2H3.
What are the key properties of [4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine?
[4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine has a molecular weight of 299.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine is sourced from PubChem (CID 115383195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).