4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol

C15H19NO2S — CID 103456577

IUPAC4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
SMILESCC(C)C(O)C(O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H19NO2S/c1-10(2)15(18)13(17)8-14-16-12(9-19-14)11-6-4-3-5-7-11/h3-7,9-10,13,15,17-18H,8H2,1-2H3
InChIKeyRKTZQORLOCHABM-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.73
Rot. Bonds5

About 4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol

4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol (PubChem CID 103456577) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol.

Molecular Properties

Compound Name4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
PubChem CID103456577
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
SMILESCC(C)C(O)C(O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H19NO2S/c1-10(2)15(18)13(17)8-14-16-12(9-19-14)11-6-4-3-5-7-11/h3-7,9-10,13,15,17-18H,8H2,1-2H3
InChIKeyRKTZQORLOCHABM-UHFFFAOYSA-N
XLogP2.73
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
1-(dimethylamino)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 79820116
1-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819550
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
4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
CID 103027611
2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid
CID 79817950
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
1-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79820082
N,4-dimethyl-5-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79817421
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol?
The IUPAC name of 4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol (CID 103456577) is 4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol.
What is the SMILES notation for 4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol?
The canonical SMILES for 4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol is CC(C)C(O)C(O)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol?
The InChIKey is RKTZQORLOCHABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10(2)15(18)13(17)8-14-16-12(9-19-14)11-6-4-3-5-7-11/h3-7,9-10,13,15,17-18H,8H2,1-2H3.
What are the key properties of 4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol?
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol has a molecular weight of 277.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol is sourced from PubChem (CID 103456577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).