(1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol

C16H21NO2S — CID 63364149

IUPAC(1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCc1csc(C(C)C)n1
InChIInChI=1S/C16H21NO2S/c1-4-14(18)13-7-5-6-8-15(13)19-9-12-10-20-16(17-12)11(2)3/h5-8,10-11,14,18H,4,9H2,1-3H3/t14-/m0/s1
InChIKeyAITMSQSHFYKSQW-AWEZNQCLSA-N
MW291.42 g/mol
LogP4.29
Rot. Bonds6

About (1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol

(1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol (PubChem CID 63364149) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is (1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
PubChem CID63364149
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name(1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCc1csc(C(C)C)n1
InChIInChI=1S/C16H21NO2S/c1-4-14(18)13-7-5-6-8-15(13)19-9-12-10-20-16(17-12)11(2)3/h5-8,10-11,14,18H,4,9H2,1-3H3/t14-/m0/s1
InChIKeyAITMSQSHFYKSQW-AWEZNQCLSA-N
XLogP4.29
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol with MolForge

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Related Compounds

1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-amine
CID 61487826
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenol
CID 54956266
[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 54956681
1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanone
CID 61227732
2-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 107258145
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]benzamide
CID 38866514
1-[2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 61487424
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]propan-1-ol
CID 115332159
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1R)-1-[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propan-1-ol
CID 78933268
(1R)-1-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 63364376
(1R)-1-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol
CID 103954577

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol (CID 63364149) is (1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1OCc1csc(C(C)C)n1.
What is the InChIKey of (1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol?
The InChIKey is AITMSQSHFYKSQW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-4-14(18)13-7-5-6-8-15(13)19-9-12-10-20-16(17-12)11(2)3/h5-8,10-11,14,18H,4,9H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol?
(1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol has a molecular weight of 291.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 63364149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).