2-cyclohexylsulfinyl-1,3-benzothiazole

C13H15NOS2 — CID 20524678

IUPAC2-cyclohexylsulfinyl-1,3-benzothiazole
SMILESO=S(c1nc2ccccc2s1)C1CCCCC1
InChIInChI=1S/C13H15NOS2/c15-17(10-6-2-1-3-7-10)13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10H,1-3,6-7H2
InChIKeyXTJPCDVNGPVOJH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.74
Rot. Bonds2

About 2-cyclohexylsulfinyl-1,3-benzothiazole

2-cyclohexylsulfinyl-1,3-benzothiazole (PubChem CID 20524678) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-cyclohexylsulfinyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-cyclohexylsulfinyl-1,3-benzothiazole
PubChem CID20524678
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name2-cyclohexylsulfinyl-1,3-benzothiazole
SMILESO=S(c1nc2ccccc2s1)C1CCCCC1
InChIInChI=1S/C13H15NOS2/c15-17(10-6-2-1-3-7-10)13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10H,1-3,6-7H2
InChIKeyXTJPCDVNGPVOJH-UHFFFAOYSA-N
XLogP3.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-3-ylsulfinyl-1,3-benzothiazole;hydrochloride
CID 71645990
2-pyrrolidin-3-ylsulfinyl-1,3-benzothiazole
CID 71646013
2-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]-1,3-benzothiazole
CID 97165838
2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-benzothiazole;hydrochloride
CID 71645444
2-cyclopentylsulfinyl-1,3-benzothiazol-6-amine
CID 61368635
2-[(R)-ethenylsulfinyl]-1,3-benzothiazole
CID 94044917
2-[(S)-[(2S)-pyrrolidin-2-yl]methylsulfinyl]-1,3-benzothiazole
CID 97166293
2-[(R)-phenylsulfinyl]-1,3-benzothiazole
CID 99868112
CID 174477252
CID 174477252
2-cyclopentylsulfonyl-1,3-benzothiazole
CID 101459308
carbanide;cyclopentane;bis(2-cyclopentyl-1,3-benzothiazole);iron;iron(2+);methanone;rhenium
CID 162273563
2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]-1,3-benzothiazole
CID 97166415

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfinyl-1,3-benzothiazole?
The IUPAC name of 2-cyclohexylsulfinyl-1,3-benzothiazole (CID 20524678) is 2-cyclohexylsulfinyl-1,3-benzothiazole.
What is the SMILES notation for 2-cyclohexylsulfinyl-1,3-benzothiazole?
The canonical SMILES for 2-cyclohexylsulfinyl-1,3-benzothiazole is O=S(c1nc2ccccc2s1)C1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfinyl-1,3-benzothiazole?
The InChIKey is XTJPCDVNGPVOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c15-17(10-6-2-1-3-7-10)13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 2-cyclohexylsulfinyl-1,3-benzothiazole?
2-cyclohexylsulfinyl-1,3-benzothiazole has a molecular weight of 265.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfinyl-1,3-benzothiazole is sourced from PubChem (CID 20524678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).