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

C16H20N2S — CID 95910445

IUPAC2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-4,6-dimethyl-1,3-benzothiazole
SMILESCCN1CC=C(c2nc3c(C)cc(C)cc3s2)CC1
InChIInChI=1S/C16H20N2S/c1-4-18-7-5-13(6-8-18)16-17-15-12(3)9-11(2)10-14(15)19-16/h5,9-10H,4,6-8H2,1-3H3
InChIKeyVHHZBQMGBRLOIQ-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.02
Rot. Bonds2

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

2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-4,6-dimethyl-1,3-benzothiazole (PubChem CID 95910445) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-4,6-dimethyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-4,6-dimethyl-1,3-benzothiazole
PubChem CID95910445
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-4,6-dimethyl-1,3-benzothiazole
SMILESCCN1CC=C(c2nc3c(C)cc(C)cc3s2)CC1
InChIInChI=1S/C16H20N2S/c1-4-18-7-5-13(6-8-18)16-17-15-12(3)9-11(2)10-14(15)19-16/h5,9-10H,4,6-8H2,1-3H3
InChIKeyVHHZBQMGBRLOIQ-UHFFFAOYSA-N
XLogP4.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-4,6-dimethyl-1,3-benzothiazole?
The IUPAC name of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-4,6-dimethyl-1,3-benzothiazole (CID 95910445) is 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-4,6-dimethyl-1,3-benzothiazole.
What is the SMILES notation for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-4,6-dimethyl-1,3-benzothiazole?
The canonical SMILES for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-4,6-dimethyl-1,3-benzothiazole is CCN1CC=C(c2nc3c(C)cc(C)cc3s2)CC1.
What is the InChIKey of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-4,6-dimethyl-1,3-benzothiazole?
The InChIKey is VHHZBQMGBRLOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-4-18-7-5-13(6-8-18)16-17-15-12(3)9-11(2)10-14(15)19-16/h5,9-10H,4,6-8H2,1-3H3.
What are the key properties of 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-4,6-dimethyl-1,3-benzothiazole?
2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-4,6-dimethyl-1,3-benzothiazole has a molecular weight of 272.42 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-4,6-dimethyl-1,3-benzothiazole is sourced from PubChem (CID 95910445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).