N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine

C15H26N2OS2 — CID 71869544

IUPACN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine
SMILESCCOC(C)c1nc(CN(C)C2CCC(SC)C2)cs1
InChIInChI=1S/C15H26N2OS2/c1-5-18-11(2)15-16-12(10-20-15)9-17(3)13-6-7-14(8-13)19-4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyONHFDBMGEAIMQJ-UHFFFAOYSA-N
MW314.52 g/mol
LogP3.96
Rot. Bonds7

About N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine

N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine (PubChem CID 71869544) has the molecular formula C15H26N2OS2 and a molecular weight of 314.52 g/mol. Its IUPAC name is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine
PubChem CID71869544
Molecular FormulaC15H26N2OS2
Molecular Weight314.52 g/mol
Exact Mass314.15
IUPAC NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine
SMILESCCOC(C)c1nc(CN(C)C2CCC(SC)C2)cs1
InChIInChI=1S/C15H26N2OS2/c1-5-18-11(2)15-16-12(10-20-15)9-17(3)13-6-7-14(8-13)19-4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyONHFDBMGEAIMQJ-UHFFFAOYSA-N
XLogP3.96
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine (CID 71869544) is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine is CCOC(C)c1nc(CN(C)C2CCC(SC)C2)cs1.
What is the InChIKey of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is ONHFDBMGEAIMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS2/c1-5-18-11(2)15-16-12(10-20-15)9-17(3)13-6-7-14(8-13)19-4/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine?
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 314.52 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 71869544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).