2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine

C9H16N2S2 — CID 116504995

IUPAC2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine
SMILESCCSCCc1nc(CC)sc1N
InChIInChI=1S/C9H16N2S2/c1-3-8-11-7(9(10)13-8)5-6-12-4-2/h3-6,10H2,1-2H3
InChIKeyUWAYBAOOIWTAAH-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.58
Rot. Bonds5

About 2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine

2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine (PubChem CID 116504995) has the molecular formula C9H16N2S2 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine
PubChem CID116504995
Molecular FormulaC9H16N2S2
Molecular Weight216.37 g/mol
Exact Mass216.08
IUPAC Name2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine
SMILESCCSCCc1nc(CC)sc1N
InChIInChI=1S/C9H16N2S2/c1-3-8-11-7(9(10)13-8)5-6-12-4-2/h3-6,10H2,1-2H3
InChIKeyUWAYBAOOIWTAAH-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine (CID 116504995) is 2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine is CCSCCc1nc(CC)sc1N.
What is the InChIKey of 2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine?
The InChIKey is UWAYBAOOIWTAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S2/c1-3-8-11-7(9(10)13-8)5-6-12-4-2/h3-6,10H2,1-2H3.
What are the key properties of 2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine?
2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine has a molecular weight of 216.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-ethylsulfanylethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 116504995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).