(2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine

C9H14N2OS — CID 131182016

IUPAC(2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine
SMILESCC1OCCC1C(N)c1ccsn1
InChIInChI=1S/C9H14N2OS/c1-6-7(2-4-12-6)9(10)8-3-5-13-11-8/h3,5-7,9H,2,4,10H2,1H3
InChIKeyLGEZAPMLKZXBGA-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.57
Rot. Bonds2

About (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine

(2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine (PubChem CID 131182016) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine
PubChem CID131182016
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine
SMILESCC1OCCC1C(N)c1ccsn1
InChIInChI=1S/C9H14N2OS/c1-6-7(2-4-12-6)9(10)8-3-5-13-11-8/h3,5-7,9H,2,4,10H2,1H3
InChIKeyLGEZAPMLKZXBGA-UHFFFAOYSA-N
XLogP1.57
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Oxolan-2-yl(1,2-thiazol-3-yl)methanamine
CID 126985781
4-(1,2-Thiazol-3-yl)oxepan-4-amine
CID 127002573
2-(Oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine
CID 127002582
[Oxolan-3-yl(1,2-thiazol-3-yl)methyl]hydrazine
CID 130604763
(3-Methyloxan-4-yl)-(1,2-thiazol-3-yl)methanamine
CID 130604775
[(2-Methyloxolan-3-yl)-(1,2-thiazol-3-yl)methyl]hydrazine
CID 130604837
[(5-Methyloxolan-2-yl)-(1,2-thiazol-3-yl)methyl]hydrazine
CID 130604876
N-methyl-1-(oxan-4-yl)-1-(1,2-thiazol-3-yl)methanamine
CID 130625427
[(2-Methyloxolan-2-yl)-(1,2-thiazol-3-yl)methyl]hydrazine
CID 130642505
2-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)ethanamine
CID 130649338
(3-Methyloxolan-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130662906
Oxolan-3-yl(1,2-thiazol-3-yl)methanamine
CID 130664721

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine?
The IUPAC name of (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine (CID 131182016) is (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine is CC1OCCC1C(N)c1ccsn1.
What is the InChIKey of (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine?
The InChIKey is LGEZAPMLKZXBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-7(2-4-12-6)9(10)8-3-5-13-11-8/h3,5-7,9H,2,4,10H2,1H3.
What are the key properties of (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine?
(2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 131182016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).