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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Related Compounds

N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 104925633
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 107320621
N-(5-chloro-4-methylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106154768
N-propan-2-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanamide
CID 113247405
N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65273820
N-(3-phenylbutyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274259
3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274344
4-methyl-6-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid
CID 65270163
1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
CID 65275792
N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103525237
N-(3-phenoxypropyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65276914

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).