(2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol

C17H24N2O2S — CID 97238525

IUPAC(2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
SMILESCc1cccc(OC[C@H](O)CNC(C)(C)c2nc(C)cs2)c1
InChIInChI=1S/C17H24N2O2S/c1-12-6-5-7-15(8-12)21-10-14(20)9-18-17(3,4)16-19-13(2)11-22-16/h5-8,11,14,18,20H,9-10H2,1-4H3/t14-/m1/s1
InChIKeyGOKOZUOZEWELDJ-CQSZACIVSA-N
MW320.46 g/mol
LogP3.02
Rot. Bonds7

About (2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol

(2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol (PubChem CID 97238525) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
PubChem CID97238525
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
SMILESCc1cccc(OC[C@H](O)CNC(C)(C)c2nc(C)cs2)c1
InChIInChI=1S/C17H24N2O2S/c1-12-6-5-7-15(8-12)21-10-14(20)9-18-17(3,4)16-19-13(2)11-22-16/h5-8,11,14,18,20H,9-10H2,1-4H3/t14-/m1/s1
InChIKeyGOKOZUOZEWELDJ-CQSZACIVSA-N
XLogP3.02
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenoxy)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045312
1-(2-methylpentan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 115609672
1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 115609480
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
(2S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125137805
1-(3-methylphenoxy)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 133309828
1-(3-methylphenoxy)-3-(quinolin-2-ylamino)propan-2-ol
CID 133300798
1-(3-methylphenoxy)butan-2-ol
CID 13089920
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677836
1-(3-methylphenoxy)-3-[(3-methylquinolin-2-yl)amino]propan-2-ol
CID 167779132
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-3-(3-methylphenoxy)propan-2-ol
CID 111434675

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The IUPAC name of (2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol (CID 97238525) is (2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The canonical SMILES for (2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol is Cc1cccc(OC[C@H](O)CNC(C)(C)c2nc(C)cs2)c1.
What is the InChIKey of (2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The InChIKey is GOKOZUOZEWELDJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-12-6-5-7-15(8-12)21-10-14(20)9-18-17(3,4)16-19-13(2)11-22-16/h5-8,11,14,18,20H,9-10H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
(2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol has a molecular weight of 320.46 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methylphenoxy)-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 97238525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).