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

C15H26N2O2S — CID 103828788

IUPAC1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
SMILESCC(C)(NCC(O)COC1CCCCC1)c1nccs1
InChIInChI=1S/C15H26N2O2S/c1-15(2,14-16-8-9-20-14)17-10-12(18)11-19-13-6-4-3-5-7-13/h8-9,12-13,17-18H,3-7,10-11H2,1-2H3
InChIKeyNVCBMTWAFHNEFM-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.68
Rot. Bonds7

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

1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol (PubChem CID 103828788) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
PubChem CID103828788
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
SMILESCC(C)(NCC(O)COC1CCCCC1)c1nccs1
InChIInChI=1S/C15H26N2O2S/c1-15(2,14-16-8-9-20-14)17-10-12(18)11-19-13-6-4-3-5-7-13/h8-9,12-13,17-18H,3-7,10-11H2,1-2H3
InChIKeyNVCBMTWAFHNEFM-UHFFFAOYSA-N
XLogP2.68
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103714641
1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828812
1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 111496556
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
(Z)-but-2-enedioic acid;1-(tert-butylamino)-3-cyclooctyloxypropan-2-ol
CID 20840735
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpropanamide
CID 61218646
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 61280895
1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760353
1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81409866

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol (CID 103828788) is 1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol is CC(C)(NCC(O)COC1CCCCC1)c1nccs1.
What is the InChIKey of 1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The InChIKey is NVCBMTWAFHNEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-15(2,14-16-8-9-20-14)17-10-12(18)11-19-13-6-4-3-5-7-13/h8-9,12-13,17-18H,3-7,10-11H2,1-2H3.
What are the key properties of 1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol has a molecular weight of 298.45 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 103828788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).