(3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine

C10H16N2OS — CID 131183022

IUPAC(3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine
SMILESCc1cc(C(N)C2CCCOC2)sn1
InChIInChI=1S/C10H16N2OS/c1-7-5-9(14-12-7)10(11)8-3-2-4-13-6-8/h5,8,10H,2-4,6,11H2,1H3
InChIKeyIONGDPLXHWTVTR-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.88
Rot. Bonds2

About (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine

(3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine (PubChem CID 131183022) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine
PubChem CID131183022
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine
SMILESCc1cc(C(N)C2CCCOC2)sn1
InChIInChI=1S/C10H16N2OS/c1-7-5-9(14-12-7)10(11)8-3-2-4-13-6-8/h5,8,10H,2-4,6,11H2,1H3
InChIKeyIONGDPLXHWTVTR-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Methyl-1,2-thiazol-5-yl)-(oxolan-2-yl)methanamine
CID 126985716
(1-Methoxycyclobutyl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 126985750
(3-Methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine
CID 130604775
N-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine
CID 130625427
(5-Methyloxolan-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130642281
2-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine
CID 130649338
1,4-Dioxan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130653733
(3-Methyloxolan-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130662906
3-(3-Methyl-1,2-thiazol-5-yl)oxan-3-amine
CID 130664346
Oxolan-3-yl(1,2-thiazol-3-yl)methanamine
CID 130664721
(3-Methyl-1,2-thiazol-5-yl)-(oxan-2-yl)methanamine
CID 130673408
(3-Methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine
CID 130826279

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine (CID 131183022) is (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine is Cc1cc(C(N)C2CCCOC2)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine?
The InChIKey is IONGDPLXHWTVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-5-9(14-12-7)10(11)8-3-2-4-13-6-8/h5,8,10H,2-4,6,11H2,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine?
(3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)-(oxan-3-yl)methanamine is sourced from PubChem (CID 131183022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).