1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol

C10H17NO2S — CID 103454583

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol
SMILESCCC(O)C(O)Cc1nc(C)c(C)s1
InChIInChI=1S/C10H17NO2S/c1-4-8(12)9(13)5-10-11-6(2)7(3)14-10/h8-9,12-13H,4-5H2,1-3H3
InChIKeySHTVUELDUSNEOB-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.43
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol

1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol (PubChem CID 103454583) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol
PubChem CID103454583
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol
SMILESCCC(O)C(O)Cc1nc(C)c(C)s1
InChIInChI=1S/C10H17NO2S/c1-4-8(12)9(13)5-10-11-6(2)7(3)14-10/h8-9,12-13H,4-5H2,1-3H3
InChIKeySHTVUELDUSNEOB-UHFFFAOYSA-N
XLogP1.43
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 65168478
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115826140
azane;2-ethyl-4,5-dimethyl-1,3-thiazole
CID 69061774
1-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol
CID 112575426
1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine
CID 65168639
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3-dimethylbutan-1-ol
CID 83139169
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 64989566
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 178190269
1-(4,5-dimethyl-1,3-thiazol-2-yl)butan-2-one
CID 65168475
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-2-ylethanol
CID 106634659
3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1-phenylpropan-1-ol
CID 104846232
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylsulfanyl]butanoic acid
CID 105352899

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol (CID 103454583) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol is CCC(O)C(O)Cc1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol?
The InChIKey is SHTVUELDUSNEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-4-8(12)9(13)5-10-11-6(2)7(3)14-10/h8-9,12-13H,4-5H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol?
1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol has a molecular weight of 215.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)pentane-2,3-diol is sourced from PubChem (CID 103454583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).