1-(1,3-thiazol-2-yl)butane-1,2,4-triol

C7H11NO3S — CID 171871689

IUPAC1-(1,3-thiazol-2-yl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1nccs1
InChIInChI=1S/C7H11NO3S/c9-3-1-5(10)6(11)7-8-2-4-12-7/h2,4-6,9-11H,1,3H2
InChIKeyNSYKOUBAHVNDNF-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.08
Rot. Bonds4

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

1-(1,3-thiazol-2-yl)butane-1,2,4-triol (PubChem CID 171871689) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)butane-1,2,4-triol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)butane-1,2,4-triol
PubChem CID171871689
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name1-(1,3-thiazol-2-yl)butane-1,2,4-triol
SMILESOCCC(O)C(O)c1nccs1
InChIInChI=1S/C7H11NO3S/c9-3-1-5(10)6(11)7-8-2-4-12-7/h2,4-6,9-11H,1,3H2
InChIKeyNSYKOUBAHVNDNF-UHFFFAOYSA-N
XLogP-0.08
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3,4-dihydroxy-4-(1,3-thiazol-2-yl)butanoate
CID 171894979
2-fluoro-1-(1,3-thiazol-2-yl)heptan-1-ol
CID 137426861
(1S)-2-amino-1-(1,3-thiazol-2-yl)ethanol
CID 83004028
(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol
CID 96733513
(1S,2S,3R)-2-amino-1-(1,3-thiazol-2-yl)butane-1,3-diol
CID 10607650
2-(2-hydroxyethoxy)-2-(1,3-thiazol-2-yl)acetonitrile
CID 103375863
methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
CID 23243531
3-amino-2-(1,3-thiazol-2-yl)propan-1-ol
CID 63216153
2-(1,3-thiazol-2-yl)butan-1-ol
CID 116987101
1-(1,3-thiazol-2-yl)octan-1-ol
CID 10943825
(4S)-4-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]pentan-1-ol
CID 97051663
(1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 70041725

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)butane-1,2,4-triol?
The IUPAC name of 1-(1,3-thiazol-2-yl)butane-1,2,4-triol (CID 171871689) is 1-(1,3-thiazol-2-yl)butane-1,2,4-triol.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)butane-1,2,4-triol?
The canonical SMILES for 1-(1,3-thiazol-2-yl)butane-1,2,4-triol is OCCC(O)C(O)c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)butane-1,2,4-triol?
The InChIKey is NSYKOUBAHVNDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c9-3-1-5(10)6(11)7-8-2-4-12-7/h2,4-6,9-11H,1,3H2.
What are the key properties of 1-(1,3-thiazol-2-yl)butane-1,2,4-triol?
1-(1,3-thiazol-2-yl)butane-1,2,4-triol has a molecular weight of 189.24 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)butane-1,2,4-triol is sourced from PubChem (CID 171871689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).