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

C10H16N2OS — CID 130604775

IUPAC(3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine
SMILESCC1COCCC1C(N)c1ccsn1
InChIInChI=1S/C10H16N2OS/c1-7-6-13-4-2-8(7)10(11)9-3-5-14-12-9/h3,5,7-8,10H,2,4,6,11H2,1H3
InChIKeySDOYSGADDXIPET-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.82
Rot. Bonds2

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

(3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine (PubChem CID 130604775) 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-3-yl)methanamine.

Molecular Properties

Compound Name(3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine
PubChem CID130604775
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine
SMILESCC1COCCC1C(N)c1ccsn1
InChIInChI=1S/C10H16N2OS/c1-7-6-13-4-2-8(7)10(11)9-3-5-14-12-9/h3,5,7-8,10H,2,4,6,11H2,1H3
InChIKeySDOYSGADDXIPET-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

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Related Compounds

4-(1,2-Thiazol-3-yl)oxepan-4-amine
CID 127002573
[Oxolan-3-yl(1,2-thiazol-3-yl)methyl]hydrazine
CID 130604763
[(2-Methyloxolan-3-yl)-(1,2-thiazol-3-yl)methyl]hydrazine
CID 130604837
N-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine
CID 130625427
2-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine
CID 130649338
Oxolan-3-yl(1,2-thiazol-3-yl)methanamine
CID 130664721
3-(1,2-Thiazol-3-yl)oxan-3-amine
CID 130721975
(3-Methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine
CID 130826279
(2-Ethyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine
CID 130840669
[Oxan-3-yl(1,2-thiazol-3-yl)methyl]hydrazine
CID 130848693
N-methyl-1-(2-methyloxolan-3-yl)-1-(1,2-thiazol-3-yl)methanamine
CID 130875435
(2-Methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine
CID 130956228

Frequently Asked Questions

What is the IUPAC name of (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine?
The IUPAC name of (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine (CID 130604775) is (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine is CC1COCCC1C(N)c1ccsn1.
What is the InChIKey of (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine?
The InChIKey is SDOYSGADDXIPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-6-13-4-2-8(7)10(11)9-3-5-14-12-9/h3,5,7-8,10H,2,4,6,11H2,1H3.
What are the key properties of (3-methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine?
(3-methyloxan-4-yl)-(1,2-thiazol-3-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-3-yl)methanamine is sourced from PubChem (CID 130604775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).