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

C9H14N2OS — CID 130956228

IUPAC(2-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine
SMILESCC1(C(N)c2ccsn2)CCCO1
InChIInChI=1S/C9H14N2OS/c1-9(4-2-5-12-9)8(10)7-3-6-13-11-7/h3,6,8H,2,4-5,10H2,1H3
InChIKeyCQXBULYABPJNGL-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.71
Rot. Bonds2

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

(2-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine (PubChem CID 130956228) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (2-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine
PubChem CID130956228
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(2-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine
SMILESCC1(C(N)c2ccsn2)CCCO1
InChIInChI=1S/C9H14N2OS/c1-9(4-2-5-12-9)8(10)7-3-6-13-11-7/h3,6,8H,2,4-5,10H2,1H3
InChIKeyCQXBULYABPJNGL-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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
Oxolan-2-yl(1,2-thiazol-3-yl)methanamine
CID 126985781
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
(1-Methoxycyclopentyl)-(1,2-thiazol-3-yl)methanamine
CID 130631850
(5-Methyloxolan-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130642281
[(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

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine?
The IUPAC name of (2-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine (CID 130956228) is (2-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for (2-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for (2-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine is CC1(C(N)c2ccsn2)CCCO1.
What is the InChIKey of (2-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine?
The InChIKey is CQXBULYABPJNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-9(4-2-5-12-9)8(10)7-3-6-13-11-7/h3,6,8H,2,4-5,10H2,1H3.
What are the key properties of (2-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine?
(2-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 130956228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).