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

C5H9N3S2 — CID 65274565

IUPACN-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCCNc1ncns1
InChIInChI=1S/C5H9N3S2/c1-9-3-2-6-5-7-4-8-10-5/h4H,2-3H2,1H3,(H,6,7,8)
InChIKeyZSAFPBJBLYOJHR-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.31
Rot. Bonds4

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

N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65274565) has the molecular formula C5H9N3S2 and a molecular weight of 175.28 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65274565
Molecular FormulaC5H9N3S2
Molecular Weight175.28 g/mol
Exact Mass175.02
IUPAC NameN-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCCNc1ncns1
InChIInChI=1S/C5H9N3S2/c1-9-3-2-6-5-7-4-8-10-5/h4H,2-3H2,1H3,(H,6,7,8)
InChIKeyZSAFPBJBLYOJHR-UHFFFAOYSA-N
XLogP1.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.31
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-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 102809301
3-(1,2,4-Thiadiazol-3-ylsulfanyl)propan-1-amine
CID 20402086
1-Methyl-3-[3-(1,2,4-thiadiazol-3-ylsulfanyl)propyl]thiourea
CID 20557789
1-Methyl-3-[3-(1,2,4-thiadiazol-3-ylamino)propyl]thiourea
CID 20557991
N-ethyl-1,2,4-thiadiazol-5-amine
CID 55286483
N-ethyl-1,2,4-thiadiazol-3-amine
CID 57179512
N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268484
N-propyl-1,2,4-thiadiazol-5-amine
CID 65268873
1-(1,2,4-Thiadiazol-5-ylsulfanyl)ethanamine
CID 70538042
2-(1,2,4-Thiadiazol-5-ylsulfanyl)ethanamine
CID 70538044
1-Cyano-2-methyl-3-[3-(1,2,4-thiadiazol-3-ylsulfanyl)propyl]guanidine
CID 88767057
N-(ethylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
CID 134315292

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine (CID 65274565) is N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine is CSCCNc1ncns1.
What is the InChIKey of N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZSAFPBJBLYOJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S2/c1-9-3-2-6-5-7-4-8-10-5/h4H,2-3H2,1H3,(H,6,7,8).
What are the key properties of N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 175.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).