N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine

C17H22N2OS — CID 79825761

IUPACN-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(-c2ccccc2)cs1)C1CCCOC1
InChIInChI=1S/C17H22N2OS/c1-18-15(14-8-5-9-20-11-14)10-17-19-16(12-21-17)13-6-3-2-4-7-13/h2-4,6-7,12,14-15,18H,5,8-11H2,1H3
InChIKeyUJGFCWRZMPZDGN-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.37
Rot. Bonds5

About N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine

N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 79825761) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
PubChem CID79825761
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nc(-c2ccccc2)cs1)C1CCCOC1
InChIInChI=1S/C17H22N2OS/c1-18-15(14-8-5-9-20-11-14)10-17-19-16(12-21-17)13-6-3-2-4-7-13/h2-4,6-7,12,14-15,18H,5,8-11H2,1H3
InChIKeyUJGFCWRZMPZDGN-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006662
1,1-difluoro-N-methyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 103516844
1-(oxolan-3-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 103986612
1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 115817937
1-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819550
[1-(2-methylcyclopropyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105234902
2-(4-phenyl-1,3-thiazol-2-yl)-1-piperidin-3-ylethanol
CID 80559303
1-(5-bromofuran-2-yl)-N-methyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006690
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine
CID 79825369

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine (CID 79825761) is N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is CNC(Cc1nc(-c2ccccc2)cs1)C1CCCOC1.
What is the InChIKey of N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is UJGFCWRZMPZDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-18-15(14-8-5-9-20-11-14)10-17-19-16(12-21-17)13-6-3-2-4-7-13/h2-4,6-7,12,14-15,18H,5,8-11H2,1H3.
What are the key properties of N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine?
N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 302.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 79825761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).