(2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol

C13H22N2O3S — CID 95044295

IUPAC(2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
SMILESCN(Cc1cscn1)C[C@H](O)COC[C@@H]1CCCO1
InChIInChI=1S/C13H22N2O3S/c1-15(5-11-9-19-10-14-11)6-12(16)7-17-8-13-3-2-4-18-13/h9-10,12-13,16H,2-8H2,1H3/t12-,13-/m0/s1
InChIKeyCXEMGIUKTGBMPJ-STQMWFEESA-N
MW286.40 g/mol
LogP1.13
Rot. Bonds8

About (2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol

(2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol (PubChem CID 95044295) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is (2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
PubChem CID95044295
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name(2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
SMILESCN(Cc1cscn1)C[C@H](O)COC[C@@H]1CCCO1
InChIInChI=1S/C13H22N2O3S/c1-15(5-11-9-19-10-14-11)6-12(16)7-17-8-13-3-2-4-18-13/h9-10,12-13,16H,2-8H2,1H3/t12-,13-/m0/s1
InChIKeyCXEMGIUKTGBMPJ-STQMWFEESA-N
XLogP1.13
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124799203
(2S)-1-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124737593
1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 94177798
1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110877523
1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol
CID 110900484
1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110892631
1-[methyl(naphthalen-2-yl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 78827395
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61283235
(2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]propan-2-ol
CID 124818957
1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 86849360
1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111488930
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol?
The IUPAC name of (2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol (CID 95044295) is (2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol?
The canonical SMILES for (2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol is CN(Cc1cscn1)C[C@H](O)COC[C@@H]1CCCO1.
What is the InChIKey of (2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol?
The InChIKey is CXEMGIUKTGBMPJ-STQMWFEESA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-15(5-11-9-19-10-14-11)6-12(16)7-17-8-13-3-2-4-18-13/h9-10,12-13,16H,2-8H2,1H3/t12-,13-/m0/s1.
What are the key properties of (2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol?
(2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol has a molecular weight of 286.40 g/mol, XLogP of 1.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol is sourced from PubChem (CID 95044295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).