N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine

C10H14N2OS — CID 131172929

IUPACN-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine
SMILESCNC(c1ccns1)C1C2COCC21
InChIInChI=1S/C10H14N2OS/c1-11-10(8-2-3-12-14-8)9-6-4-13-5-7(6)9/h2-3,6-7,9-11H,4-5H2,1H3
InChIKeyNHUJKXFDTOXLAH-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.30
Rot. Bonds3

About N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine

N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine (PubChem CID 131172929) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine
PubChem CID131172929
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC NameN-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine
SMILESCNC(c1ccns1)C1C2COCC21
InChIInChI=1S/C10H14N2OS/c1-11-10(8-2-3-12-14-8)9-6-4-13-5-7(6)9/h2-3,6-7,9-11H,4-5H2,1H3
InChIKeyNHUJKXFDTOXLAH-UHFFFAOYSA-N
XLogP1.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine with MolForge

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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
N-methyl-1-(2-methyloxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine
CID 131015363
Oxan-4-yl(1,2-thiazol-5-yl)methanamine
CID 131081483
9-Methyl-5-(1,2-thiazol-5-yl)-1-oxa-4-azaspiro[5.6]dodecane
CID 165597302
3,3-Dimethyl-10-(1,2-thiazol-5-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 165867312

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine (CID 131172929) is N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine is CNC(c1ccns1)C1C2COCC21.
What is the InChIKey of N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine?
The InChIKey is NHUJKXFDTOXLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-11-10(8-2-3-12-14-8)9-6-4-13-5-7(6)9/h2-3,6-7,9-11H,4-5H2,1H3.
What are the key properties of N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine?
N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine has a molecular weight of 210.30 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 131172929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).