N-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine

C8H15N3S2 — CID 65268461

IUPACN-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CSC(C)C)ns1
InChIInChI=1S/C8H15N3S2/c1-4-9-8-10-7(11-13-8)5-12-6(2)3/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyKBDRPBCAVMCREJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.61
Rot. Bonds5

About N-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine

N-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268461) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is N-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268461
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC NameN-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CSC(C)C)ns1
InChIInChI=1S/C8H15N3S2/c1-4-9-8-10-7(11-13-8)5-12-6(2)3/h6H,4-5H2,1-3H3,(H,9,10,11)
InChIKeyKBDRPBCAVMCREJ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (CID 65268461) is N-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is CCNc1nc(CSC(C)C)ns1.
What is the InChIKey of N-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KBDRPBCAVMCREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c1-4-9-8-10-7(11-13-8)5-12-6(2)3/h6H,4-5H2,1-3H3,(H,9,10,11).
What are the key properties of N-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 217.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).