7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine

C13H14N2OS — CID 134092352

IUPAC7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine
SMILESCOc1ccc(C2CCn3ccnc3S2)cc1
InChIInChI=1S/C13H14N2OS/c1-16-11-4-2-10(3-5-11)12-6-8-15-9-7-14-13(15)17-12/h2-5,7,9,12H,6,8H2,1H3
InChIKeyBLOAFCZLZYRCTR-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.13
Rot. Bonds2

About 7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine

7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine (PubChem CID 134092352) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine
PubChem CID134092352
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine
SMILESCOc1ccc(C2CCn3ccnc3S2)cc1
InChIInChI=1S/C13H14N2OS/c1-16-11-4-2-10(3-5-11)12-6-8-15-9-7-14-13(15)17-12/h2-5,7,9,12H,6,8H2,1H3
InChIKeyBLOAFCZLZYRCTR-UHFFFAOYSA-N
XLogP3.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574985
6-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 175662454
2-(4-methoxyphenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 21482944
4-[[(6S)-6-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 124948908
4-(4-methoxyphenyl)-4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c]pyrimidine
CID 101087252
(3R,3aR)-3-(4-methoxyphenyl)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazole
CID 163039581
5-(4-methoxyphenyl)-2-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 2916637
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 127832089
CID 172687865
CID 172687865
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
(5S)-2-(4-fluorophenyl)-5-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 1192930
(5S)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
CID 1045322

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine?
The IUPAC name of 7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine (CID 134092352) is 7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine.
What is the SMILES notation for 7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine?
The canonical SMILES for 7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine is COc1ccc(C2CCn3ccnc3S2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine?
The InChIKey is BLOAFCZLZYRCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-16-11-4-2-10(3-5-11)12-6-8-15-9-7-14-13(15)17-12/h2-5,7,9,12H,6,8H2,1H3.
What are the key properties of 7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine?
7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine has a molecular weight of 246.34 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazine is sourced from PubChem (CID 134092352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).