N-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine

C9H14N2OS — CID 130943571

IUPACN-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine
SMILESCNC(c1ccns1)C1CCOC1
InChIInChI=1S/C9H14N2OS/c1-10-9(7-3-5-12-6-7)8-2-4-11-13-8/h2,4,7,9-10H,3,5-6H2,1H3
InChIKeyKOMKBNMVDBXXFZ-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.44
Rot. Bonds3

About N-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine

N-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine (PubChem CID 130943571) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine
PubChem CID130943571
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine
SMILESCNC(c1ccns1)C1CCOC1
InChIInChI=1S/C9H14N2OS/c1-10-9(7-3-5-12-6-7)8-2-4-11-13-8/h2,4,7,9-10H,3,5-6H2,1H3
InChIKeyKOMKBNMVDBXXFZ-UHFFFAOYSA-N
XLogP1.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.44
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-Methoxyoxolan-3-yl)-(1,2-thiazol-5-yl)methanamine
CID 130871608
[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
Oxan-4-yl(1,2-thiazol-5-yl)methanamine
CID 131081483
N-methyl-1-(3-oxabicyclo[3.1.0]hexan-6-yl)-1-(1,2-thiazol-5-yl)methanamine
CID 131172929
Methyl({[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methyl})amine
CID 164645563
1,1-Dimethyl-10-(1,2-thiazol-5-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 165601987
3,3-Dimethyl-10-(1,2-thiazol-5-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 165867312
10-(1,2-Thiazol-5-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 165868385

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine (CID 130943571) is N-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine is CNC(c1ccns1)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine?
The InChIKey is KOMKBNMVDBXXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-10-9(7-3-5-12-6-7)8-2-4-11-13-8/h2,4,7,9-10H,3,5-6H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine?
N-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 130943571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).