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

C8H12N2OS — CID 126985781

IUPACoxolan-2-yl(1,2-thiazol-3-yl)methanamine
SMILESNC(c1ccsn1)C1CCCO1
InChIInChI=1S/C8H12N2OS/c9-8(6-3-5-12-10-6)7-2-1-4-11-7/h3,5,7-8H,1-2,4,9H2
InChIKeyNJRJGBHNMNGJFL-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.32
Rot. Bonds2

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

oxolan-2-yl(1,2-thiazol-3-yl)methanamine (PubChem CID 126985781) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is oxolan-2-yl(1,2-thiazol-3-yl)methanamine.

Molecular Properties

Compound Nameoxolan-2-yl(1,2-thiazol-3-yl)methanamine
PubChem CID126985781
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Nameoxolan-2-yl(1,2-thiazol-3-yl)methanamine
SMILESNC(c1ccsn1)C1CCCO1
InChIInChI=1S/C8H12N2OS/c9-8(6-3-5-12-10-6)7-2-1-4-11-7/h3,5,7-8H,1-2,4,9H2
InChIKeyNJRJGBHNMNGJFL-UHFFFAOYSA-N
XLogP1.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.32
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
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
Oxolan-3-yl(1,2-thiazol-3-yl)methanamine
CID 130664721

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl(1,2-thiazol-3-yl)methanamine?
The IUPAC name of oxolan-2-yl(1,2-thiazol-3-yl)methanamine (CID 126985781) is oxolan-2-yl(1,2-thiazol-3-yl)methanamine.
What is the SMILES notation for oxolan-2-yl(1,2-thiazol-3-yl)methanamine?
The canonical SMILES for oxolan-2-yl(1,2-thiazol-3-yl)methanamine is NC(c1ccsn1)C1CCCO1.
What is the InChIKey of oxolan-2-yl(1,2-thiazol-3-yl)methanamine?
The InChIKey is NJRJGBHNMNGJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c9-8(6-3-5-12-10-6)7-2-1-4-11-7/h3,5,7-8H,1-2,4,9H2.
What are the key properties of oxolan-2-yl(1,2-thiazol-3-yl)methanamine?
oxolan-2-yl(1,2-thiazol-3-yl)methanamine has a molecular weight of 184.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl(1,2-thiazol-3-yl)methanamine is sourced from PubChem (CID 126985781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).