N-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine

C16H20N2OS — CID 56910594

IUPACN-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCN(Cc1csc(-c2ccccc2)n1)CC1CCOC1
InChIInChI=1S/C16H20N2OS/c1-18(9-13-7-8-19-11-13)10-15-12-20-16(17-15)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3
InChIKeyOEWRVZNFJRQFSY-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.28
Rot. Bonds5

About N-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine

N-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 56910594) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID56910594
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCN(Cc1csc(-c2ccccc2)n1)CC1CCOC1
InChIInChI=1S/C16H20N2OS/c1-18(9-13-7-8-19-11-13)10-15-12-20-16(17-15)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3
InChIKeyOEWRVZNFJRQFSY-UHFFFAOYSA-N
XLogP3.28
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine (CID 56910594) is N-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine is CN(Cc1csc(-c2ccccc2)n1)CC1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is OEWRVZNFJRQFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-18(9-13-7-8-19-11-13)10-15-12-20-16(17-15)14-5-3-2-4-6-14/h2-6,12-13H,7-11H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine?
N-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 288.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 56910594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).