(3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine

C10H16N2OS — CID 130826279

IUPAC(3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine
SMILESCC1COCCC1C(N)c1ccns1
InChIInChI=1S/C10H16N2OS/c1-7-6-13-5-3-8(7)10(11)9-2-4-12-14-9/h2,4,7-8,10H,3,5-6,11H2,1H3
InChIKeyLCMVNGCAMRMQIW-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.82
Rot. Bonds2

About (3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine

(3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine (PubChem CID 130826279) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine
PubChem CID130826279
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine
SMILESCC1COCCC1C(N)c1ccns1
InChIInChI=1S/C10H16N2OS/c1-7-6-13-5-3-8(7)10(11)9-2-4-12-14-9/h2,4,7-8,10H,3,5-6,11H2,1H3
InChIKeyLCMVNGCAMRMQIW-UHFFFAOYSA-N
XLogP1.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine 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 (3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine?
The IUPAC name of (3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine (CID 130826279) is (3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for (3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine?
The canonical SMILES for (3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine is CC1COCCC1C(N)c1ccns1.
What is the InChIKey of (3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine?
The InChIKey is LCMVNGCAMRMQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-6-13-5-3-8(7)10(11)9-2-4-12-14-9/h2,4,7-8,10H,3,5-6,11H2,1H3.
What are the key properties of (3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine?
(3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 130826279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).