4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol

C16H21NO2S — CID 103027611

IUPAC4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
SMILESCOC(C)(C)CC(O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21NO2S/c1-16(2,19-3)10-13(18)9-15-17-14(11-20-15)12-7-5-4-6-8-12/h4-8,11,13,18H,9-10H2,1-3H3
InChIKeyHBZAVFYTBWLVQB-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.53
Rot. Bonds6

About 4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol

4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol (PubChem CID 103027611) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
PubChem CID103027611
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
SMILESCOC(C)(C)CC(O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21NO2S/c1-16(2,19-3)10-13(18)9-15-17-14(11-20-15)12-7-5-4-6-8-12/h4-8,11,13,18H,9-10H2,1-3H3
InChIKeyHBZAVFYTBWLVQB-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 79820192
5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
CID 105110995
1-(dimethylamino)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 79820116
3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116760500
4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 116504657
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103456577
1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 115817937
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111607082
1-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819550
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 105164397
5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819900
1-(1-methylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819696

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol?
The IUPAC name of 4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol (CID 103027611) is 4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol is COC(C)(C)CC(O)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol?
The InChIKey is HBZAVFYTBWLVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-16(2,19-3)10-13(18)9-15-17-14(11-20-15)12-7-5-4-6-8-12/h4-8,11,13,18H,9-10H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol?
4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol has a molecular weight of 291.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol is sourced from PubChem (CID 103027611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).