5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole

C15H20N2S — CID 84638397

IUPAC5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole
SMILESCc1cc2nc(CC3CCNCC3)sc2cc1C
InChIInChI=1S/C15H20N2S/c1-10-7-13-14(8-11(10)2)18-15(17-13)9-12-3-5-16-6-4-12/h7-8,12,16H,3-6,9H2,1-2H3
InChIKeyRSIGDNSYLOWOET-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.46
Rot. Bonds2

About 5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole

5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole (PubChem CID 84638397) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole
PubChem CID84638397
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole
SMILESCc1cc2nc(CC3CCNCC3)sc2cc1C
InChIInChI=1S/C15H20N2S/c1-10-7-13-14(8-11(10)2)18-15(17-13)9-12-3-5-16-6-4-12/h7-8,12,16H,3-6,9H2,1-2H3
InChIKeyRSIGDNSYLOWOET-UHFFFAOYSA-N
XLogP3.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84632613
4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116829012
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-methylmethanamine
CID 84620821
5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 84803170
2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1,3-benzothiazole
CID 79608654
5-bromo-2-(2-piperidin-4-ylethyl)-1,3-benzothiazole
CID 62216200
5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine
CID 82383726
6-bromo-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
CID 79533850
2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole
CID 62215876
2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole
CID 105464466
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
2-methyl-6-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84795648

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole?
The IUPAC name of 5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole (CID 84638397) is 5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole.
What is the SMILES notation for 5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole?
The canonical SMILES for 5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole is Cc1cc2nc(CC3CCNCC3)sc2cc1C.
What is the InChIKey of 5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole?
The InChIKey is RSIGDNSYLOWOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-7-13-14(8-11(10)2)18-15(17-13)9-12-3-5-16-6-4-12/h7-8,12,16H,3-6,9H2,1-2H3.
What are the key properties of 5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole?
5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole has a molecular weight of 260.41 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole is sourced from PubChem (CID 84638397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).