(5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol

C22H22N2OS — CID 40648484

IUPAC(5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol
SMILESCC(C)(C)C1=C[C@H](O)n2c(nc(-c3ccccc3)c2-c2ccccc2)S1
InChIInChI=1S/C22H22N2OS/c1-22(2,3)17-14-18(25)24-20(16-12-8-5-9-13-16)19(23-21(24)26-17)15-10-6-4-7-11-15/h4-14,18,25H,1-3H3/t18-/m0/s1
InChIKeyKHYFLSMWMCXMEB-SFHVURJKSA-N
MW362.50 g/mol
LogP5.74
Rot. Bonds2

About (5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol

(5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol (PubChem CID 40648484) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is (5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol.

Molecular Properties

Compound Name(5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol
PubChem CID40648484
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name(5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol
SMILESCC(C)(C)C1=C[C@H](O)n2c(nc(-c3ccccc3)c2-c2ccccc2)S1
InChIInChI=1S/C22H22N2OS/c1-22(2,3)17-14-18(25)24-20(16-12-8-5-9-13-16)19(23-21(24)26-17)15-10-6-4-7-11-15/h4-14,18,25H,1-3H3/t18-/m0/s1
InChIKeyKHYFLSMWMCXMEB-SFHVURJKSA-N
XLogP5.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-ditert-butyl-4H-[1,3]thiazino[3,2-a]benzimidazol-4-amine
CID 4736624
5-methyl-2,3-diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 13126838
1-tert-butyl-2,4,5-triphenylimidazole
CID 142519119
2-tert-butyl-3-phenylquinoxaline
CID 621753
2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
CID 55645362
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
3-(4-bromophenyl)-6,7-diphenyl-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine
CID 101028744
3,5,6-triphenylimidazo[2,1-b][1,3]thiazole
CID 10760466
3,5-bis(2-methyl-4,5-diphenylimidazol-1-yl)-1H-1,2,4-triazole
CID 177465805
4-(4-tert-butylphenyl)-5-phenyl-1-(4-phenylphenyl)triazole
CID 67378200
2-(2-chlorophenyl)-1-(4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenylimidazole
CID 154439864
[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl] 2-oxopropanoate
CID 150918707

Frequently Asked Questions

What is the IUPAC name of (5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol?
The IUPAC name of (5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol (CID 40648484) is (5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol.
What is the SMILES notation for (5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol?
The canonical SMILES for (5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol is CC(C)(C)C1=C[C@H](O)n2c(nc(-c3ccccc3)c2-c2ccccc2)S1.
What is the InChIKey of (5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol?
The InChIKey is KHYFLSMWMCXMEB-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22N2OS/c1-22(2,3)17-14-18(25)24-20(16-12-8-5-9-13-16)19(23-21(24)26-17)15-10-6-4-7-11-15/h4-14,18,25H,1-3H3/t18-/m0/s1.
What are the key properties of (5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol?
(5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol has a molecular weight of 362.50 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-tert-butyl-2,3-diphenyl-5H-imidazo[2,1-b][1,3]thiazin-5-ol is sourced from PubChem (CID 40648484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).