3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine

C14H26N2S2 — CID 116504477

IUPAC3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCSCCC(NC(C)C)c1nc(C(C)C)cs1
InChIInChI=1S/C14H26N2S2/c1-6-17-8-7-12(15-11(4)5)14-16-13(9-18-14)10(2)3/h9-12,15H,6-8H2,1-5H3
InChIKeyAOMAGNSTWNEUGS-UHFFFAOYSA-N
MW286.51 g/mol
LogP4.45
Rot. Bonds8

About 3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine

3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 116504477) has the molecular formula C14H26N2S2 and a molecular weight of 286.51 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID116504477
Molecular FormulaC14H26N2S2
Molecular Weight286.51 g/mol
Exact Mass286.15
IUPAC Name3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCSCCC(NC(C)C)c1nc(C(C)C)cs1
InChIInChI=1S/C14H26N2S2/c1-6-17-8-7-12(15-11(4)5)14-16-13(9-18-14)10(2)3/h9-12,15H,6-8H2,1-5H3
InChIKeyAOMAGNSTWNEUGS-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 54.45
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 3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine (CID 116504477) is 3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine is CCSCCC(NC(C)C)c1nc(C(C)C)cs1.
What is the InChIKey of 3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is AOMAGNSTWNEUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S2/c1-6-17-8-7-12(15-11(4)5)14-16-13(9-18-14)10(2)3/h9-12,15H,6-8H2,1-5H3.
What are the key properties of 3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine?
3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 286.51 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 116504477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).