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

C16H21NO2S — CID 105110995

IUPAC5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
SMILESCOCC(C)CC(O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21NO2S/c1-12(10-19-2)8-14(18)9-16-17-15(11-20-16)13-6-4-3-5-7-13/h3-7,11-12,14,18H,8-10H2,1-2H3
InChIKeyCGRKFYJLQJGBLK-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.39
Rot. Bonds7

About 5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol

5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol (PubChem CID 105110995) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
PubChem CID105110995
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
SMILESCOCC(C)CC(O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21NO2S/c1-12(10-19-2)8-14(18)9-16-17-15(11-20-16)13-6-4-3-5-7-13/h3-7,11-12,14,18H,8-10H2,1-2H3
InChIKeyCGRKFYJLQJGBLK-UHFFFAOYSA-N
XLogP3.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
CID 103027611
1-(dimethylamino)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 79820116
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103456577
3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 79820192
5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819900
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 116504657
4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048
1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 115817937
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79817621

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol?
The IUPAC name of 5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol (CID 105110995) is 5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol.
What is the SMILES notation for 5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol?
The canonical SMILES for 5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol is COCC(C)CC(O)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol?
The InChIKey is CGRKFYJLQJGBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-12(10-19-2)8-14(18)9-16-17-15(11-20-16)13-6-4-3-5-7-13/h3-7,11-12,14,18H,8-10H2,1-2H3.
What are the key properties of 5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol?
5-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 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol is sourced from PubChem (CID 105110995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).