N-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine

C13H22N2OS — CID 105030371

IUPACN-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)Cc1cncs1
InChIInChI=1S/C13H22N2OS/c1-2-15-11(8-13-9-14-10-17-13)5-6-12-4-3-7-16-12/h9-12,15H,2-8H2,1H3
InChIKeyCQENLCFJMNCFNL-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.62
Rot. Bonds7

About N-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine

N-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine (PubChem CID 105030371) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine
PubChem CID105030371
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)Cc1cncs1
InChIInChI=1S/C13H22N2OS/c1-2-15-11(8-13-9-14-10-17-13)5-6-12-4-3-7-16-12/h9-12,15H,2-8H2,1H3
InChIKeyCQENLCFJMNCFNL-UHFFFAOYSA-N
XLogP2.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine?
The IUPAC name of N-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine (CID 105030371) is N-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine is CCNC(CCC1CCCO1)Cc1cncs1.
What is the InChIKey of N-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine?
The InChIKey is CQENLCFJMNCFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-15-11(8-13-9-14-10-17-13)5-6-12-4-3-7-16-12/h9-12,15H,2-8H2,1H3.
What are the key properties of N-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine?
N-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 105030371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).