3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine

C8H15N3S2 — CID 65268646

IUPAC3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(CSCC)ns1
InChIInChI=1S/C8H15N3S2/c1-3-5-9-8-10-7(11-13-8)6-12-4-2/h3-6H2,1-2H3,(H,9,10,11)
InChIKeySPAIVIVANBFFFQ-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.61
Rot. Bonds6

About 3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine

3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268646) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65268646
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC Name3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(CSCC)ns1
InChIInChI=1S/C8H15N3S2/c1-3-5-9-8-10-7(11-13-8)6-12-4-2/h3-6H2,1-2H3,(H,9,10,11)
InChIKeySPAIVIVANBFFFQ-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2,2,2-Trifluoroethyl)guanidino]-3-[2-(2-cyano-3-methylguanidino)-ethylthiomethyl]-1,2,4-thiadiazole
CID 21298796
1-[3-(2-Aminoethylsulfanylmethyl)-1,2,4-thiadiazol-5-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 21298866
3-methyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269099
3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103894459
3-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103894462
3-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103894467
3-tert-butyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 104952706
N-(5-methylsulfanylpentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105912649
N-(2-prop-2-ynylsulfanylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106430517
3-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 106430765
N-(2-methylsulfanylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304965
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304966

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 65268646) is 3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(CSCC)ns1.
What is the InChIKey of 3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SPAIVIVANBFFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c1-3-5-9-8-10-7(11-13-8)6-12-4-2/h3-6H2,1-2H3,(H,9,10,11).
What are the key properties of 3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 217.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).