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

C9H14N2OS — CID 130678046

IUPAC(5-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine
SMILESCC1CCC(C(N)c2ccsn2)O1
InChIInChI=1S/C9H14N2OS/c1-6-2-3-8(12-6)9(10)7-4-5-13-11-7/h4-6,8-9H,2-3,10H2,1H3
InChIKeyVTTGCIIAUOQGPA-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.71
Rot. Bonds2

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

(5-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine (PubChem CID 130678046) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine
PubChem CID130678046
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(5-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine
SMILESCC1CCC(C(N)c2ccsn2)O1
InChIInChI=1S/C9H14N2OS/c1-6-2-3-8(12-6)9(10)7-4-5-13-11-7/h4-6,8-9H,2-3,10H2,1H3
InChIKeyVTTGCIIAUOQGPA-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
Oxolan-2-yl(1,2-thiazol-3-yl)methanamine
CID 126985781
2-(Oxolan-2-yl)-1-(1,2-thiazol-3-yl)ethanamine
CID 127002582
[(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
N-methyl-1-(oxan-2-yl)-1-(1,2-thiazol-3-yl)methanamine
CID 130642110
(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
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

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine?
The IUPAC name of (5-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine (CID 130678046) is (5-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for (5-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for (5-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine is CC1CCC(C(N)c2ccsn2)O1.
What is the InChIKey of (5-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine?
The InChIKey is VTTGCIIAUOQGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-2-3-8(12-6)9(10)7-4-5-13-11-7/h4-6,8-9H,2-3,10H2,1H3.
What are the key properties of (5-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine?
(5-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 (5-methyloxolan-2-yl)-(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 130678046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).