5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole

C14H16N2S — CID 58983110

IUPAC5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole
SMILESCC1(C)CCCN=C1c1ccc2scnc2c1
InChIInChI=1S/C14H16N2S/c1-14(2)6-3-7-15-13(14)10-4-5-12-11(8-10)16-9-17-12/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyDQJAVAXQAVTDCT-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.91
Rot. Bonds1

About 5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole

5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole (PubChem CID 58983110) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole
PubChem CID58983110
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole
SMILESCC1(C)CCCN=C1c1ccc2scnc2c1
InChIInChI=1S/C14H16N2S/c1-14(2)6-3-7-15-13(14)10-4-5-12-11(8-10)16-9-17-12/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyDQJAVAXQAVTDCT-UHFFFAOYSA-N
XLogP3.91
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole?
The IUPAC name of 5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole (CID 58983110) is 5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole.
What is the SMILES notation for 5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole?
The canonical SMILES for 5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole is CC1(C)CCCN=C1c1ccc2scnc2c1.
What is the InChIKey of 5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole?
The InChIKey is DQJAVAXQAVTDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-14(2)6-3-7-15-13(14)10-4-5-12-11(8-10)16-9-17-12/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole?
5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole has a molecular weight of 244.36 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5-dimethyl-3,4-dihydro-2H-pyridin-6-yl)-1,3-benzothiazole is sourced from PubChem (CID 58983110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).