4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine

C9H17N3S2 — CID 62188242

IUPAC4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CSC(C)CC
InChIInChI=1S/C9H17N3S2/c1-4-7(3)13-6-8-9(10-5-2)14-12-11-8/h7,10H,4-6H2,1-3H3
InChIKeyMZDSPMMPIZIYJM-UHFFFAOYSA-N
MW231.39 g/mol
LogP3.00
Rot. Bonds6

About 4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine

4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine (PubChem CID 62188242) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine
PubChem CID62188242
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC Name4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CSC(C)CC
InChIInChI=1S/C9H17N3S2/c1-4-7(3)13-6-8-9(10-5-2)14-12-11-8/h7,10H,4-6H2,1-3H3
InChIKeyMZDSPMMPIZIYJM-UHFFFAOYSA-N
XLogP3.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine (CID 62188242) is 4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine is CCNc1snnc1CSC(C)CC.
What is the InChIKey of 4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine?
The InChIKey is MZDSPMMPIZIYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-4-7(3)13-6-8-9(10-5-2)14-12-11-8/h7,10H,4-6H2,1-3H3.
What are the key properties of 4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine?
4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine has a molecular weight of 231.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfanylmethyl)-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 62188242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).