1,3-thiazol-2-ylmethanediol

C4H5NO2S — CID 91164735

IUPAC1,3-thiazol-2-ylmethanediol
SMILESOC(O)c1nccs1
InChIInChI=1S/C4H5NO2S/c6-4(7)3-5-1-2-8-3/h1-2,4,6-7H
InChIKeySLGNXBPDYJRDSW-UHFFFAOYSA-N
MW131.16 g/mol
LogP0.13
Rot. Bonds1

About 1,3-thiazol-2-ylmethanediol

1,3-thiazol-2-ylmethanediol (PubChem CID 91164735) has the molecular formula C4H5NO2S and a molecular weight of 131.16 g/mol. Its IUPAC name is 1,3-thiazol-2-ylmethanediol.

Molecular Properties

Compound Name1,3-thiazol-2-ylmethanediol
PubChem CID91164735
Molecular FormulaC4H5NO2S
Molecular Weight131.16 g/mol
Exact Mass131.00
IUPAC Name1,3-thiazol-2-ylmethanediol
SMILESOC(O)c1nccs1
InChIInChI=1S/C4H5NO2S/c6-4(7)3-5-1-2-8-3/h1-2,4,6-7H
InChIKeySLGNXBPDYJRDSW-UHFFFAOYSA-N
XLogP0.13
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-Thiazol-2-yl)ethan-1-ol
CID 10034657
1,3-Thiazol-2-ylmethanol
CID 2795213
1,3-Thiazole-2-carboxylic acid
CID 2762733
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
(5-Iodo-1,3-thiazol-2-yl)methanol
CID 66224116
2-(1,3-Dioxolan-2-yl)-1,3-thiazole
CID 15205158
2-(Methoxymethyl)thiazole
CID 22758941
1,3-Thiazol-2-ylmethyl formate
CID 53835685
2-(Thiazol-2-yl)-4,5-dihydrooxazole
CID 57298035
Thiazolylmethoxyamine
CID 59478221

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-ylmethanediol?
The IUPAC name of 1,3-thiazol-2-ylmethanediol (CID 91164735) is 1,3-thiazol-2-ylmethanediol.
What is the SMILES notation for 1,3-thiazol-2-ylmethanediol?
The canonical SMILES for 1,3-thiazol-2-ylmethanediol is OC(O)c1nccs1.
What is the InChIKey of 1,3-thiazol-2-ylmethanediol?
The InChIKey is SLGNXBPDYJRDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S/c6-4(7)3-5-1-2-8-3/h1-2,4,6-7H.
What are the key properties of 1,3-thiazol-2-ylmethanediol?
1,3-thiazol-2-ylmethanediol has a molecular weight of 131.16 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-ylmethanediol is sourced from PubChem (CID 91164735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).