N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C8H15N3S2 — CID 65274566

IUPACN-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCSCCNc1nc(C(C)C)ns1
InChIInChI=1S/C8H15N3S2/c1-6(2)7-10-8(13-11-7)9-4-5-12-3/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyNJWLRGIFSQUDLA-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.44
Rot. Bonds5

About N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65274566) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65274566
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC NameN-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCSCCNc1nc(C(C)C)ns1
InChIInChI=1S/C8H15N3S2/c1-6(2)7-10-8(13-11-7)9-4-5-12-3/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyNJWLRGIFSQUDLA-UHFFFAOYSA-N
XLogP2.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65274566) is N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CSCCNc1nc(C(C)C)ns1.
What is the InChIKey of N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is NJWLRGIFSQUDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c1-6(2)7-10-8(13-11-7)9-4-5-12-3/h6H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 217.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).