(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine

C4H7N3S2 — CID 75481759

IUPAC(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine
SMILESCSc1nnc(CN)s1
InChIInChI=1S/C4H7N3S2/c1-8-4-7-6-3(2-5)9-4/h2,5H2,1H3
InChIKeyNNNNOFHPMIZNKM-UHFFFAOYSA-N
MW161.26 g/mol
LogP0.72
Rot. Bonds2

About (5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine

(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine (PubChem CID 75481759) has the molecular formula C4H7N3S2 and a molecular weight of 161.26 g/mol. Its IUPAC name is (5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine
PubChem CID75481759
Molecular FormulaC4H7N3S2
Molecular Weight161.26 g/mol
Exact Mass161.01
IUPAC Name(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine
SMILESCSc1nnc(CN)s1
InChIInChI=1S/C4H7N3S2/c1-8-4-7-6-3(2-5)9-4/h2,5H2,1H3
InChIKeyNNNNOFHPMIZNKM-UHFFFAOYSA-N
XLogP0.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine?
The IUPAC name of (5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine (CID 75481759) is (5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine.
What is the SMILES notation for (5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine?
The canonical SMILES for (5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine is CSc1nnc(CN)s1.
What is the InChIKey of (5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine?
The InChIKey is NNNNOFHPMIZNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S2/c1-8-4-7-6-3(2-5)9-4/h2,5H2,1H3.
What are the key properties of (5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine?
(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine has a molecular weight of 161.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine is sourced from PubChem (CID 75481759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).