3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine

C16H16N2S — CID 20507153

IUPAC3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine
SMILESc1ccc2cc(C3CN=C4SCCCN43)ccc2c1
InChIInChI=1S/C16H16N2S/c1-2-5-13-10-14(7-6-12(13)4-1)15-11-17-16-18(15)8-3-9-19-16/h1-2,4-7,10,15H,3,8-9,11H2
InChIKeyWBYVLHJHVNQTND-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.69
Rot. Bonds1

About 3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine

3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine (PubChem CID 20507153) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine.

Molecular Properties

Compound Name3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine
PubChem CID20507153
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine
SMILESc1ccc2cc(C3CN=C4SCCCN43)ccc2c1
InChIInChI=1S/C16H16N2S/c1-2-5-13-10-14(7-6-12(13)4-1)15-11-17-16-18(15)8-3-9-19-16/h1-2,4-7,10,15H,3,8-9,11H2
InChIKeyWBYVLHJHVNQTND-UHFFFAOYSA-N
XLogP3.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine?
The IUPAC name of 3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine (CID 20507153) is 3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine.
What is the SMILES notation for 3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine?
The canonical SMILES for 3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine is c1ccc2cc(C3CN=C4SCCCN43)ccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine?
The InChIKey is WBYVLHJHVNQTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-2-5-13-10-14(7-6-12(13)4-1)15-11-17-16-18(15)8-3-9-19-16/h1-2,4-7,10,15H,3,8-9,11H2.
What are the key properties of 3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine?
3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine has a molecular weight of 268.38 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-3,5,6,7-tetrahydro-2H-imidazo[2,1-b][1,3]thiazine is sourced from PubChem (CID 20507153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).