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

C16H22N2O2S — CID 103714693

IUPAC1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
SMILESCc1ccccc1OCC(O)CNC(C)(C)c1nccs1
InChIInChI=1S/C16H22N2O2S/c1-12-6-4-5-7-14(12)20-11-13(19)10-18-16(2,3)15-17-8-9-21-15/h4-9,13,18-19H,10-11H2,1-3H3
InChIKeyGUROHSIDSORNQM-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.72
Rot. Bonds7

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

1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol (PubChem CID 103714693) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
PubChem CID103714693
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
SMILESCc1ccccc1OCC(O)CNC(C)(C)c1nccs1
InChIInChI=1S/C16H22N2O2S/c1-12-6-4-5-7-14(12)20-11-13(19)10-18-16(2,3)15-17-8-9-21-15/h4-9,13,18-19H,10-11H2,1-3H3
InChIKeyGUROHSIDSORNQM-UHFFFAOYSA-N
XLogP2.72
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828789
1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 111496556
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828812
1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103714641
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426
1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 13096685
1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828788
N-[(2-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113237093
1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61042993
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol (CID 103714693) is 1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol is Cc1ccccc1OCC(O)CNC(C)(C)c1nccs1.
What is the InChIKey of 1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The InChIKey is GUROHSIDSORNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-6-4-5-7-14(12)20-11-13(19)10-18-16(2,3)15-17-8-9-21-15/h4-9,13,18-19H,10-11H2,1-3H3.
What are the key properties of 1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol has a molecular weight of 306.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 103714693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).