5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine

C10H11N3S2 — CID 805117

IUPAC5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2ccccc2)s1
InChIInChI=1S/C10H11N3S2/c1-11-9-12-13-10(15-9)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
InChIKeyKFLNRVSOQJTXDG-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.87
Rot. Bonds4

About 5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine

5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 805117) has the molecular formula C10H11N3S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID805117
Molecular FormulaC10H11N3S2
Molecular Weight237.35 g/mol
Exact Mass237.04
IUPAC Name5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2ccccc2)s1
InChIInChI=1S/C10H11N3S2/c1-11-9-12-13-10(15-9)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
InChIKeyKFLNRVSOQJTXDG-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 723666
1,3,4-Thiadiazol-2-amine, 5-((phenylmethyl)thio)-
CID 99285
Acetamide, N-(5-((phenylmethyl)thio)-1,3,4-thiadiazol-2-yl)-
CID 101472
5-(2-Fluoro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylamine
CID 735097
5-[(3-Methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-ylamine
CID 571196
5-{[(4-Methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine
CID 693296
2-(1,3-Dimethylureido)-5-(3-fluorobenzylthio)-1,3,4-thiadiazole
CID 5170889
5-benzylsulfanyl-N-cyclohexyl-1,3,4-thiadiazol-2-amine
CID 328630
5-(((3-Fluorophenyl)methyl)thio)-N-methyl-1,3,4-thiadiazol-2-amine
CID 8228889
Methyl {5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl}carbamate
CID 976061
5-(4-Phenylbutan-2-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 47061602
5-(3-Cyclopropyl-1-phenylpropylthio)-1,3,4-thiadiazole-2-ylamine
CID 2872803

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine (CID 805117) is 5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(SCc2ccccc2)s1.
What is the InChIKey of 5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is KFLNRVSOQJTXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S2/c1-11-9-12-13-10(15-9)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12).
What are the key properties of 5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine?
5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 805117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).