5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine

C10H18N2OS2 — CID 61483393

IUPAC5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCCCOCCSc1sc(N)nc1C
InChIInChI=1S/C10H18N2OS2/c1-3-4-5-13-6-7-14-9-8(2)12-10(11)15-9/h3-7H2,1-2H3,(H2,11,12)
InChIKeyKQIJMLDLAJVFRW-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.94
Rot. Bonds7

About 5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine

5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 61483393) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID61483393
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCCCOCCSc1sc(N)nc1C
InChIInChI=1S/C10H18N2OS2/c1-3-4-5-13-6-7-14-9-8(2)12-10(11)15-9/h3-7H2,1-2H3,(H2,11,12)
InChIKeyKQIJMLDLAJVFRW-UHFFFAOYSA-N
XLogP2.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of 5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine (CID 61483393) is 5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine is CCCCOCCSc1sc(N)nc1C.
What is the InChIKey of 5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is KQIJMLDLAJVFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-3-4-5-13-6-7-14-9-8(2)12-10(11)15-9/h3-7H2,1-2H3,(H2,11,12).
What are the key properties of 5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine?
5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 246.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 61483393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).