oxan-4-yl(1,2-thiazol-5-yl)methanamine

C9H14N2OS — CID 131081483

IUPACoxan-4-yl(1,2-thiazol-5-yl)methanamine
SMILESNC(c1ccns1)C1CCOCC1
InChIInChI=1S/C9H14N2OS/c10-9(8-1-4-11-13-8)7-2-5-12-6-3-7/h1,4,7,9H,2-3,5-6,10H2
InChIKeyMWBGWIRXMGRIGI-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.57
Rot. Bonds2

About oxan-4-yl(1,2-thiazol-5-yl)methanamine

oxan-4-yl(1,2-thiazol-5-yl)methanamine (PubChem CID 131081483) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is oxan-4-yl(1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound Nameoxan-4-yl(1,2-thiazol-5-yl)methanamine
PubChem CID131081483
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Nameoxan-4-yl(1,2-thiazol-5-yl)methanamine
SMILESNC(c1ccns1)C1CCOCC1
InChIInChI=1S/C9H14N2OS/c10-9(8-1-4-11-13-8)7-2-5-12-6-3-7/h1,4,7,9H,2-3,5-6,10H2
InChIKeyMWBGWIRXMGRIGI-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

(3-Methyloxan-4-yl)-(1,2-thiazol-5-yl)methanamine
CID 130826279
2-(Oxolan-3-yl)-1-(1,2-thiazol-5-yl)ethanamine
CID 130871307
[3-Oxabicyclo[3.1.0]hexan-6-yl(1,2-thiazol-5-yl)methyl]hydrazine
CID 130942800
N-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine
CID 130943571
[Oxan-4-yl(1,2-thiazol-5-yl)methyl]hydrazine
CID 130986273
2-(Oxolan-2-yl)-1-(1,2-thiazol-5-yl)ethanamine
CID 131003204
N-methyl-1-(2-methyloxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine
CID 131015363
N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine
CID 131172929
3-Methyl-4-(1,2-thiazol-5-yl)butan-2-amine
CID 164649205

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl(1,2-thiazol-5-yl)methanamine?
The IUPAC name of oxan-4-yl(1,2-thiazol-5-yl)methanamine (CID 131081483) is oxan-4-yl(1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for oxan-4-yl(1,2-thiazol-5-yl)methanamine?
The canonical SMILES for oxan-4-yl(1,2-thiazol-5-yl)methanamine is NC(c1ccns1)C1CCOCC1.
What is the InChIKey of oxan-4-yl(1,2-thiazol-5-yl)methanamine?
The InChIKey is MWBGWIRXMGRIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c10-9(8-1-4-11-13-8)7-2-5-12-6-3-7/h1,4,7,9H,2-3,5-6,10H2.
What are the key properties of oxan-4-yl(1,2-thiazol-5-yl)methanamine?
oxan-4-yl(1,2-thiazol-5-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 oxan-4-yl(1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 131081483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).