N-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine

C5H9N3S2 — CID 18346901

IUPACN-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine
SMILESCc1nsc(SN(C)C)n1
InChIInChI=1S/C5H9N3S2/c1-4-6-5(9-7-4)10-8(2)3/h1-3H3
InChIKeyBRSFWNLCMBLYDT-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.42
Rot. Bonds2

About N-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine

N-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine (PubChem CID 18346901) has the molecular formula C5H9N3S2 and a molecular weight of 175.28 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine
PubChem CID18346901
Molecular FormulaC5H9N3S2
Molecular Weight175.28 g/mol
Exact Mass175.02
IUPAC NameN-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine
SMILESCc1nsc(SN(C)C)n1
InChIInChI=1S/C5H9N3S2/c1-4-6-5(9-7-4)10-8(2)3/h1-3H3
InChIKeyBRSFWNLCMBLYDT-UHFFFAOYSA-N
XLogP1.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine?
The IUPAC name of N-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine (CID 18346901) is N-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine is Cc1nsc(SN(C)C)n1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine?
The InChIKey is BRSFWNLCMBLYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S2/c1-4-6-5(9-7-4)10-8(2)3/h1-3H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine?
N-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine has a molecular weight of 175.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]methanamine is sourced from PubChem (CID 18346901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).