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

C17H22N2O2S — CID 95567925

IUPAC(1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine
SMILESCOc1cccc(-c2nc(CN[C@@H](C)[C@H]3CCCO3)cs2)c1
InChIInChI=1S/C17H22N2O2S/c1-12(16-7-4-8-21-16)18-10-14-11-22-17(19-14)13-5-3-6-15(9-13)20-2/h3,5-6,9,11-12,16,18H,4,7-8,10H2,1-2H3/t12-,16+/m0/s1
InChIKeyCCSRKGZCJJFYRN-BLLLJJGKSA-N
MW318.44 g/mol
LogP3.48
Rot. Bonds6

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

(1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine (PubChem CID 95567925) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is (1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine
PubChem CID95567925
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name(1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine
SMILESCOc1cccc(-c2nc(CN[C@@H](C)[C@H]3CCCO3)cs2)c1
InChIInChI=1S/C17H22N2O2S/c1-12(16-7-4-8-21-16)18-10-14-11-22-17(19-14)13-5-3-6-15(9-13)20-2/h3,5-6,9,11-12,16,18H,4,7-8,10H2,1-2H3/t12-,16+/m0/s1
InChIKeyCCSRKGZCJJFYRN-BLLLJJGKSA-N
XLogP3.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine with MolForge

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Related Compounds

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 82893205
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
2-(3-methoxyphenyl)-4-(2-methylpropyl)-1,3-thiazole
CID 146521628
(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 99821207
5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol
CID 78969051
4-[[1-(oxolan-2-yl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103238624
1-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 115089431
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35256411
N'-(3-methoxyphenyl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
CID 62555855
N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56810052
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60640937

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine?
The IUPAC name of (1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine (CID 95567925) is (1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine.
What is the SMILES notation for (1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine?
The canonical SMILES for (1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine is COc1cccc(-c2nc(CN[C@@H](C)[C@H]3CCCO3)cs2)c1.
What is the InChIKey of (1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine?
The InChIKey is CCSRKGZCJJFYRN-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12(16-7-4-8-21-16)18-10-14-11-22-17(19-14)13-5-3-6-15(9-13)20-2/h3,5-6,9,11-12,16,18H,4,7-8,10H2,1-2H3/t12-,16+/m0/s1.
What are the key properties of (1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine?
(1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine has a molecular weight of 318.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]ethanamine is sourced from PubChem (CID 95567925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).