4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole

C14H22N2S — CID 79836609

IUPAC4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole
SMILESCC1(C)CCCc2sc(C3CCNCC3)nc21
InChIInChI=1S/C14H22N2S/c1-14(2)7-3-4-11-12(14)16-13(17-11)10-5-8-15-9-6-10/h10,15H,3-9H2,1-2H3
InChIKeyXEQPNRHUSHSDDG-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.22
Rot. Bonds1

About 4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole

4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole (PubChem CID 79836609) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole.

Molecular Properties

Compound Name4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole
PubChem CID79836609
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole
SMILESCC1(C)CCCc2sc(C3CCNCC3)nc21
InChIInChI=1S/C14H22N2S/c1-14(2)7-3-4-11-12(14)16-13(17-11)10-5-8-15-9-6-10/h10,15H,3-9H2,1-2H3
InChIKeyXEQPNRHUSHSDDG-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole?
The IUPAC name of 4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole (CID 79836609) is 4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole.
What is the SMILES notation for 4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole?
The canonical SMILES for 4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole is CC1(C)CCCc2sc(C3CCNCC3)nc21.
What is the InChIKey of 4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole?
The InChIKey is XEQPNRHUSHSDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-14(2)7-3-4-11-12(14)16-13(17-11)10-5-8-15-9-6-10/h10,15H,3-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole?
4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole has a molecular weight of 250.41 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole is sourced from PubChem (CID 79836609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).