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

C16H22N2O2S — CID 103828812

IUPAC1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
SMILESCC(C)(NCC(O)COCc1ccccc1)c1nccs1
InChIInChI=1S/C16H22N2O2S/c1-16(2,15-17-8-9-21-15)18-10-14(19)12-20-11-13-6-4-3-5-7-13/h3-9,14,18-19H,10-12H2,1-2H3
InChIKeyUGHUKBMCSDCFJH-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.55
Rot. Bonds8

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

1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol (PubChem CID 103828812) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
PubChem CID103828812
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
SMILESCC(C)(NCC(O)COCc1ccccc1)c1nccs1
InChIInChI=1S/C16H22N2O2S/c1-16(2,15-17-8-9-21-15)18-10-14(19)12-20-11-13-6-4-3-5-7-13/h3-9,14,18-19H,10-12H2,1-2H3
InChIKeyUGHUKBMCSDCFJH-UHFFFAOYSA-N
XLogP2.55
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103714693
1-(2-fluorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828789
1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103714641
1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 111496556
1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828788
1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320
2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid
CID 79788909
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
CID 106175193
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 140879411
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol (CID 103828812) is 1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol is CC(C)(NCC(O)COCc1ccccc1)c1nccs1.
What is the InChIKey of 1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The InChIKey is UGHUKBMCSDCFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-16(2,15-17-8-9-21-15)18-10-14(19)12-20-11-13-6-4-3-5-7-13/h3-9,14,18-19H,10-12H2,1-2H3.
What are the key properties of 1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol has a molecular weight of 306.43 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 103828812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).