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

C9H14N2OS — CID 61331511

IUPACN-methyl-1-(oxolan-3-yl)-1-(1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nccs1)C1CCOC1
InChIInChI=1S/C9H14N2OS/c1-10-8(7-2-4-12-6-7)9-11-3-5-13-9/h3,5,7-8,10H,2,4,6H2,1H3
InChIKeyNOXKHUBQRYEQHB-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.44
Rot. Bonds3

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

N-methyl-1-(oxolan-3-yl)-1-(1,3-thiazol-2-yl)methanamine (PubChem CID 61331511) 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-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-1-(1,3-thiazol-2-yl)methanamine
PubChem CID61331511
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-methyl-1-(oxolan-3-yl)-1-(1,3-thiazol-2-yl)methanamine
SMILESCNC(c1nccs1)C1CCOC1
InChIInChI=1S/C9H14N2OS/c1-10-8(7-2-4-12-6-7)9-11-3-5-13-9/h3,5,7-8,10H,2,4,6H2,1H3
InChIKeyNOXKHUBQRYEQHB-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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-1-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-1-(1,3-thiazol-2-yl)methanamine (CID 61331511) is N-methyl-1-(oxolan-3-yl)-1-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-1-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-1-(1,3-thiazol-2-yl)methanamine is CNC(c1nccs1)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-1-(1,3-thiazol-2-yl)methanamine?
The InChIKey is NOXKHUBQRYEQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-10-8(7-2-4-12-6-7)9-11-3-5-13-9/h3,5,7-8,10H,2,4,6H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-1-(1,3-thiazol-2-yl)methanamine?
N-methyl-1-(oxolan-3-yl)-1-(1,3-thiazol-2-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-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 61331511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).