2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole

C19H24N2S — CID 166963509

IUPAC2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole
SMILESCC1CCC(c2ccc3sc(C4CCCCC4)nc3c2)=NC1
InChIInChI=1S/C19H24N2S/c1-13-7-9-16(20-12-13)15-8-10-18-17(11-15)21-19(22-18)14-5-3-2-4-6-14/h8,10-11,13-14H,2-7,9,12H2,1H3
InChIKeyRTZITHUINNXYNB-UHFFFAOYSA-N
MW312.48 g/mol
LogP5.56
Rot. Bonds2

About 2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole

2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole (PubChem CID 166963509) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole
PubChem CID166963509
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole
SMILESCC1CCC(c2ccc3sc(C4CCCCC4)nc3c2)=NC1
InChIInChI=1S/C19H24N2S/c1-13-7-9-16(20-12-13)15-8-10-18-17(11-15)21-19(22-18)14-5-3-2-4-6-14/h8,10-11,13-14H,2-7,9,12H2,1H3
InChIKeyRTZITHUINNXYNB-UHFFFAOYSA-N
XLogP5.56
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole?
The IUPAC name of 2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole (CID 166963509) is 2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole?
The canonical SMILES for 2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole is CC1CCC(c2ccc3sc(C4CCCCC4)nc3c2)=NC1.
What is the InChIKey of 2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole?
The InChIKey is RTZITHUINNXYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-13-7-9-16(20-12-13)15-8-10-18-17(11-15)21-19(22-18)14-5-3-2-4-6-14/h8,10-11,13-14H,2-7,9,12H2,1H3.
What are the key properties of 2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole?
2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole has a molecular weight of 312.48 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole is sourced from PubChem (CID 166963509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).