2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole

C14H18N2S2 — CID 62358217

IUPAC2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole
SMILESc1ccc2sc(SCCC3CCCNC3)nc2c1
InChIInChI=1S/C14H18N2S2/c1-2-6-13-12(5-1)16-14(18-13)17-9-7-11-4-3-8-15-10-11/h1-2,5-6,11,15H,3-4,7-10H2
InChIKeyZDSVPZZFYWIHLM-UHFFFAOYSA-N
MW278.45 g/mol
LogP3.78
Rot. Bonds4

About 2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole

2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole (PubChem CID 62358217) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is 2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole
PubChem CID62358217
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC Name2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole
SMILESc1ccc2sc(SCCC3CCCNC3)nc2c1
InChIInChI=1S/C14H18N2S2/c1-2-6-13-12(5-1)16-14(18-13)17-9-7-11-4-3-8-15-10-11/h1-2,5-6,11,15H,3-4,7-10H2
InChIKeyZDSVPZZFYWIHLM-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 80553613
2-[(3R)-pyrrolidin-3-yl]sulfanyl-1,3-benzothiazole
CID 71637241
2-pyrrolidin-3-ylsulfanyl-1,3-benzothiazole
CID 62328809
3-[2-(2-methylphenyl)sulfanylethyl]piperidine
CID 62357221
2-[(3R)-pyrrolidin-3-yl]sulfanyl-1,3-benzothiazole;hydrochloride
CID 71637240
2-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methylsulfanyl]-1,3-benzothiazole
CID 166597444
5-nitro-2-[[(3R)-piperidin-3-yl]methylsulfanyl]-1,3-benzothiazole
CID 97178100
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
N-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]cyclopropanamine
CID 60648664
(2R)-2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-2,3-dihydro-1,3-benzoxazin-4-one
CID 40562860
2-(2-pyrrolidin-3-ylethoxymethyl)-1,3-benzothiazole
CID 114795968
2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride
CID 18538492

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole?
The IUPAC name of 2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole (CID 62358217) is 2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole is c1ccc2sc(SCCC3CCCNC3)nc2c1.
What is the InChIKey of 2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole?
The InChIKey is ZDSVPZZFYWIHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-2-6-13-12(5-1)16-14(18-13)17-9-7-11-4-3-8-15-10-11/h1-2,5-6,11,15H,3-4,7-10H2.
What are the key properties of 2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole?
2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole has a molecular weight of 278.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole is sourced from PubChem (CID 62358217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).