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

C8H13NO2S — CID 103452784

IUPAC1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
SMILESCc1csc(CC(O)C(C)O)n1
InChIInChI=1S/C8H13NO2S/c1-5-4-12-8(9-5)3-7(11)6(2)10/h4,6-7,10-11H,3H2,1-2H3
InChIKeyYUGOMBFBPPPCGY-UHFFFAOYSA-N
MW187.26 g/mol
LogP0.74
Rot. Bonds3

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

1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol (PubChem CID 103452784) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
PubChem CID103452784
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
SMILESCc1csc(CC(O)C(C)O)n1
InChIInChI=1S/C8H13NO2S/c1-5-4-12-8(9-5)3-7(11)6(2)10/h4,6-7,10-11H,3H2,1-2H3
InChIKeyYUGOMBFBPPPCGY-UHFFFAOYSA-N
XLogP0.74
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103457297
1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol
CID 115824197
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293
3-[(4-methyl-1,3-thiazol-2-yl)methylsulfanyl]butan-2-ol
CID 103773263
3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 115824151
2-(4-methyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanol
CID 62796863
2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105117676
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
4-methyl-2-(3-methylbutyl)-1,3-thiazole
CID 115641470
(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol (CID 103452784) is 1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol is Cc1csc(CC(O)C(C)O)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol?
The InChIKey is YUGOMBFBPPPCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-5-4-12-8(9-5)3-7(11)6(2)10/h4,6-7,10-11H,3H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol?
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol has a molecular weight of 187.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol is sourced from PubChem (CID 103452784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).