5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole

C8H12N2O2S2 — CID 112645687

IUPAC5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1cncs1)CC1CNC1
InChIInChI=1S/C8H12N2O2S2/c11-14(12,4-7-1-9-2-7)5-8-3-10-6-13-8/h3,6-7,9H,1-2,4-5H2
InChIKeyXKBZGRXAVKDGHK-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.28
Rot. Bonds4

About 5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole

5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole (PubChem CID 112645687) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
PubChem CID112645687
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
SMILESO=S(=O)(Cc1cncs1)CC1CNC1
InChIInChI=1S/C8H12N2O2S2/c11-14(12,4-7-1-9-2-7)5-8-3-10-6-13-8/h3,6-7,9H,1-2,4-5H2
InChIKeyXKBZGRXAVKDGHK-UHFFFAOYSA-N
XLogP0.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(pyrrolidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
CID 71645788
5-(pyrrolidin-2-ylmethylsulfonylmethyl)-1,3-thiazole
CID 71645728
5-[[(3R)-piperidin-3-yl]sulfonylmethyl]-1,3-thiazole
CID 97165913
1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one
CID 116583454
4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole
CID 81197067
5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 112644485
4-(azetidin-3-ylmethylsulfonylmethyl)phenol
CID 81198576
5-(piperidin-4-ylmethoxymethyl)-1,3-thiazole;hydrochloride
CID 71637010
5-(azetidin-3-ylmethylsulfonylmethyl)-1-ethyl-3-methylpyrazole
CID 81198093
1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone
CID 116568336
5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole
CID 71637100
5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
CID 71636911

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole?
The IUPAC name of 5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole (CID 112645687) is 5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole is O=S(=O)(Cc1cncs1)CC1CNC1.
What is the InChIKey of 5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole?
The InChIKey is XKBZGRXAVKDGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c11-14(12,4-7-1-9-2-7)5-8-3-10-6-13-8/h3,6-7,9H,1-2,4-5H2.
What are the key properties of 5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole?
5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole has a molecular weight of 232.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole is sourced from PubChem (CID 112645687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).