(2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol

C6H9NO2S — CID 146570799

IUPAC(2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol
SMILESC[C@](O)(CO)c1nccs1
InChIInChI=1S/C6H9NO2S/c1-6(9,4-8)5-7-2-3-10-5/h2-3,8-9H,4H2,1H3/t6-/m0/s1
InChIKeyQDXOVYKNPSOPPC-LURJTMIESA-N
MW159.21 g/mol
LogP0.34
Rot. Bonds2

About (2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol

(2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol (PubChem CID 146570799) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is (2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol
PubChem CID146570799
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name(2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol
SMILESC[C@](O)(CO)c1nccs1
InChIInChI=1S/C6H9NO2S/c1-6(9,4-8)5-7-2-3-10-5/h2-3,8-9H,4H2,1H3/t6-/m0/s1
InChIKeyQDXOVYKNPSOPPC-LURJTMIESA-N
XLogP0.34
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-Thiazol-2-yl)ethan-1-ol
CID 10034657
1-(1,3-Thiazol-2-yl)ethan-1-ol
CID 9989295
(1S)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 10796762
(1R)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 11423603
2-Thiazol-2-yl-propan-2-ol
CID 12992807
Cyclopropyl(1,3-thiazol-2-yl)methanol
CID 22406973
2,2,2-Trifluoro-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 50990575
2-Methoxy-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 46785207
(1R)-1-(1,3-thiazol-2-yl)propan-1-ol hydrochloride
CID 170913972
2-Thiazolemethanol,-alpha--(1-methylethyl)-
CID 13032476
3-(Thiazole-2-yl)-oxetan-3-ol
CID 66521762
2-Thiazolemethanol, alpha-methyl-alpha-(trifluoromethyl)-
CID 12992809

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol?
The IUPAC name of (2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol (CID 146570799) is (2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol.
What is the SMILES notation for (2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol?
The canonical SMILES for (2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol is C[C@](O)(CO)c1nccs1.
What is the InChIKey of (2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol?
The InChIKey is QDXOVYKNPSOPPC-LURJTMIESA-N. The full InChI is InChI=1S/C6H9NO2S/c1-6(9,4-8)5-7-2-3-10-5/h2-3,8-9H,4H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol?
(2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol has a molecular weight of 159.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-thiazol-2-yl)propane-1,2-diol is sourced from PubChem (CID 146570799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).