1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C10H16N2OS — CID 62386716

IUPAC1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCC2CCOCC2)n1
InChIInChI=1S/C10H16N2OS/c1-4-13-5-2-9(1)7-11-8-10-12-3-6-14-10/h3,6,9,11H,1-2,4-5,7-8H2
InChIKeyVHUQSPVWYPVGRT-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.66
Rot. Bonds4

About 1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 62386716) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID62386716
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCC2CCOCC2)n1
InChIInChI=1S/C10H16N2OS/c1-4-13-5-2-9(1)7-11-8-10-12-3-6-14-10/h3,6,9,11H,1-2,4-5,7-8H2
InChIKeyVHUQSPVWYPVGRT-UHFFFAOYSA-N
XLogP1.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(Oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370018
4-(1,3-Thiazol-2-yl)oxan-4-amine
CID 61330275
2-(Tetrahydropyran-4-yl)thiazole
CID 68285285
2-(4-Fluorooxan-4-yl)-1,3-thiazole
CID 153992382
3-Methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine
CID 66902581
3-Piperidin-4-yl-3-(1,3-thiazol-2-yl)propan-1-ol
CID 68381731
[1-(1,3-Thiazol-2-ylmethyl)piperidin-4-yl]methanamine
CID 80312551
1-[4-[2-(1,3-Thiazol-2-ylmethylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 146617113
2-[2-(Oxan-4-yl)ethynyl]-1,3-thiazole
CID 168925246
3-(Thiazol-2-yloxymethyl)-piperidine hydrochloride
CID 45787171
3-[(1,3-Thiazol-2-yloxy)methyl]piperidine
CID 45787172
2-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 46784228

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 62386716) is 1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is c1csc(CNCC2CCOCC2)n1.
What is the InChIKey of 1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is VHUQSPVWYPVGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-13-5-2-9(1)7-11-8-10-12-3-6-14-10/h3,6,9,11H,1-2,4-5,7-8H2.
What are the key properties of 1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 62386716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).