N-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine

C12H22N2OS — CID 83028273

IUPACN-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1(CC)CC(NC2=NCCS2)CCO1
InChIInChI=1S/C12H22N2OS/c1-3-12(4-2)9-10(5-7-15-12)14-11-13-6-8-16-11/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyORLDTFOMTFNEGQ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.42
Rot. Bonds3

About N-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 83028273) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID83028273
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1(CC)CC(NC2=NCCS2)CCO1
InChIInChI=1S/C12H22N2OS/c1-3-12(4-2)9-10(5-7-15-12)14-11-13-6-8-16-11/h10H,3-9H2,1-2H3,(H,13,14)
InChIKeyORLDTFOMTFNEGQ-UHFFFAOYSA-N
XLogP2.42
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 83028273) is N-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1(CC)CC(NC2=NCCS2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ORLDTFOMTFNEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-12(4-2)9-10(5-7-15-12)14-11-13-6-8-16-11/h10H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 83028273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).