(1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine

C16H20N2OS — CID 86782178

IUPAC(1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine
SMILESC[C@@H](NCc1csc(C2CCCO2)n1)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-12(13-6-3-2-4-7-13)17-10-14-11-20-16(18-14)15-8-5-9-19-15/h2-4,6-7,11-12,15,17H,5,8-10H2,1H3/t12-,15?/m1/s1
InChIKeyQYGZJYLBWIKXPZ-KEKZHRQWSA-N
MW288.42 g/mol
LogP3.85
Rot. Bonds5

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

(1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine (PubChem CID 86782178) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is (1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine
PubChem CID86782178
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name(1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine
SMILESC[C@@H](NCc1csc(C2CCCO2)n1)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-12(13-6-3-2-4-7-13)17-10-14-11-20-16(18-14)15-8-5-9-19-15/h2-4,6-7,11-12,15,17H,5,8-10H2,1H3/t12-,15?/m1/s1
InChIKeyQYGZJYLBWIKXPZ-KEKZHRQWSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 97333428
N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 65328319
[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methanamine
CID 64982766
2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide
CID 99718728
2-[(2R)-oxolan-2-yl]-N-[(2R)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide
CID 99718727
4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 82475637
(1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine
CID 114985501
(R)-[1-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]imidazol-2-yl]-phenylmethanol
CID 99635029
2-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 65328335
(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 78950455
N-[[2-[(2R)-oxolan-2-yl]-1,3-thiazol-4-yl]methyl]-2-(3,4,5-trifluorophenyl)aniline
CID 99636640
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine (CID 86782178) is (1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine is C[C@@H](NCc1csc(C2CCCO2)n1)c1ccccc1.
What is the InChIKey of (1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine?
The InChIKey is QYGZJYLBWIKXPZ-KEKZHRQWSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(13-6-3-2-4-7-13)17-10-14-11-20-16(18-14)15-8-5-9-19-15/h2-4,6-7,11-12,15,17H,5,8-10H2,1H3/t12-,15?/m1/s1.
What are the key properties of (1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine?
(1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine has a molecular weight of 288.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine is sourced from PubChem (CID 86782178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).