(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine

C16H20N2OS — CID 95177763

IUPAC(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESC[C@@H](NCc1cnc(-c2ccccc2)s1)[C@H]1CCCO1
InChIInChI=1S/C16H20N2OS/c1-12(15-8-5-9-19-15)17-10-14-11-18-16(20-14)13-6-3-2-4-7-13/h2-4,6-7,11-12,15,17H,5,8-10H2,1H3/t12-,15-/m1/s1
InChIKeyBQRHIGWYYVPRJW-IUODEOHRSA-N
MW288.42 g/mol
LogP3.47
Rot. Bonds5

About (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine

(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 95177763) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID95177763
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESC[C@@H](NCc1cnc(-c2ccccc2)s1)[C@H]1CCCO1
InChIInChI=1S/C16H20N2OS/c1-12(15-8-5-9-19-15)17-10-14-11-18-16(20-14)13-6-3-2-4-7-13/h2-4,6-7,11-12,15,17H,5,8-10H2,1H3/t12-,15-/m1/s1
InChIKeyBQRHIGWYYVPRJW-IUODEOHRSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine with MolForge

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Related Compounds

(2S)-3-methyl-2-[(2-phenyl-1,3-thiazol-5-yl)methylamino]butanoic acid
CID 120510586
N-[(6-methoxy-3-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 75504160
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208430
N-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43111659
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208465
N-[(5-iodofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43771994
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 28973023
(1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine
CID 95567925
N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60873140

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 95177763) is (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine is C[C@@H](NCc1cnc(-c2ccccc2)s1)[C@H]1CCCO1.
What is the InChIKey of (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is BQRHIGWYYVPRJW-IUODEOHRSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(15-8-5-9-19-15)17-10-14-11-18-16(20-14)13-6-3-2-4-7-13/h2-4,6-7,11-12,15,17H,5,8-10H2,1H3/t12-,15-/m1/s1.
What are the key properties of (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine?
(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 288.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 95177763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).