6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole

C14H17ClN2S — CID 71083482

IUPAC6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
SMILESCCC1CCN(c2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C14H17ClN2S/c1-2-10-5-7-17(8-6-10)14-16-12-4-3-11(15)9-13(12)18-14/h3-4,9-10H,2,5-8H2,1H3
InChIKeyDOGZWRBRVGMVCP-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.58
Rot. Bonds2

About 6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole

6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole (PubChem CID 71083482) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
PubChem CID71083482
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
SMILESCCC1CCN(c2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C14H17ClN2S/c1-2-10-5-7-17(8-6-10)14-16-12-4-3-11(15)9-13(12)18-14/h3-4,9-10H,2,5-8H2,1H3
InChIKeyDOGZWRBRVGMVCP-UHFFFAOYSA-N
XLogP4.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
N-benzyl-1-(6-chloro-1,3-benzothiazol-2-yl)-N-ethylpiperidin-4-amine
CID 174571089
6-chloro-2-[4-(6-chloro-2-ethylpyrimidin-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 108777459
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride
CID 131730289
6-chloro-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1,3-benzothiazole
CID 108774137
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 43982264
6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole
CID 166603229
6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081569
1-(6-chloro-1,3-benzothiazol-2-yl)-N-(oxan-3-ylmethyl)piperidin-4-amine
CID 72879104
2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole
CID 171988061
1-(6-chloro-1,3-benzothiazol-2-yl)-N-(1H-pyrazol-5-ylmethyl)piperidin-4-amine
CID 72903720

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole (CID 71083482) is 6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole is CCC1CCN(c2nc3ccc(Cl)cc3s2)CC1.
What is the InChIKey of 6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole?
The InChIKey is DOGZWRBRVGMVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-2-10-5-7-17(8-6-10)14-16-12-4-3-11(15)9-13(12)18-14/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole?
6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole has a molecular weight of 280.82 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 71083482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).