3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol

C6H9NO3S2 — CID 111176145

IUPAC3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol
SMILESO=S(=O)(CCCO)c1nccs1
InChIInChI=1S/C6H9NO3S2/c8-3-1-5-12(9,10)6-7-2-4-11-6/h2,4,8H,1,3,5H2
InChIKeyLANWSKKEAZWCQY-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.30
Rot. Bonds4

About 3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol

3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol (PubChem CID 111176145) has the molecular formula C6H9NO3S2 and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol
PubChem CID111176145
Molecular FormulaC6H9NO3S2
Molecular Weight207.28 g/mol
Exact Mass207.00
IUPAC Name3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol
SMILESO=S(=O)(CCCO)c1nccs1
InChIInChI=1S/C6H9NO3S2/c8-3-1-5-12(9,10)6-7-2-4-11-6/h2,4,8H,1,3,5H2
InChIKeyLANWSKKEAZWCQY-UHFFFAOYSA-N
XLogP0.30
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol?
The IUPAC name of 3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol (CID 111176145) is 3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol.
What is the SMILES notation for 3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol?
The canonical SMILES for 3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol is O=S(=O)(CCCO)c1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol?
The InChIKey is LANWSKKEAZWCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S2/c8-3-1-5-12(9,10)6-7-2-4-11-6/h2,4,8H,1,3,5H2.
What are the key properties of 3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol?
3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol has a molecular weight of 207.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylsulfonyl)propan-1-ol is sourced from PubChem (CID 111176145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).