(3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine

C14H22N2O3S — CID 91765709

IUPAC(3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine
SMILESc1nc(CO[C@H]2CCOC[C@H]2NC2CCOCC2)cs1
InChIInChI=1S/C14H22N2O3S/c1-4-17-5-2-11(1)16-13-8-18-6-3-14(13)19-7-12-9-20-10-15-12/h9-11,13-14,16H,1-8H2/t13-,14+/m1/s1
InChIKeyGYTYLIKWPYTXHZ-KGLIPLIRSA-N
MW298.41 g/mol
LogP1.59
Rot. Bonds5

About (3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine

(3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine (PubChem CID 91765709) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is (3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine.

Molecular Properties

Compound Name(3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine
PubChem CID91765709
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name(3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine
SMILESc1nc(CO[C@H]2CCOC[C@H]2NC2CCOCC2)cs1
InChIInChI=1S/C14H22N2O3S/c1-4-17-5-2-11(1)16-13-8-18-6-3-14(13)19-7-12-9-20-10-15-12/h9-11,13-14,16H,1-8H2/t13-,14+/m1/s1
InChIKeyGYTYLIKWPYTXHZ-KGLIPLIRSA-N
XLogP1.59
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-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 (3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine?
The IUPAC name of (3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine (CID 91765709) is (3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine.
What is the SMILES notation for (3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine?
The canonical SMILES for (3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine is c1nc(CO[C@H]2CCOC[C@H]2NC2CCOCC2)cs1.
What is the InChIKey of (3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine?
The InChIKey is GYTYLIKWPYTXHZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-17-5-2-11(1)16-13-8-18-6-3-14(13)19-7-12-9-20-10-15-12/h9-11,13-14,16H,1-8H2/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine?
(3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine has a molecular weight of 298.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(oxan-4-yl)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-amine is sourced from PubChem (CID 91765709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).