4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide

C22H25N3O2S2 — CID 144825399

IUPAC4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)c1ccc(-c2ncc(-c3ccc(N4CCS(=O)(=O)CC4)cc3)s2)cn1
InChIInChI=1S/C22H25N3O2S2/c1-22(2,3)20-9-6-17(14-23-20)21-24-15-19(28-21)16-4-7-18(8-5-16)25-10-12-29(26,27)13-11-25/h4-9,14-15H,10-13H2,1-3H3
InChIKeyPZJKWEYADWNGNH-UHFFFAOYSA-N
MW427.60 g/mol
LogP4.40
Rot. Bonds3

About 4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide

4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 144825399) has the molecular formula C22H25N3O2S2 and a molecular weight of 427.60 g/mol. Its IUPAC name is 4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide
PubChem CID144825399
Molecular FormulaC22H25N3O2S2
Molecular Weight427.60 g/mol
Exact Mass427.14
IUPAC Name4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)(C)c1ccc(-c2ncc(-c3ccc(N4CCS(=O)(=O)CC4)cc3)s2)cn1
InChIInChI=1S/C22H25N3O2S2/c1-22(2,3)20-9-6-17(14-23-20)21-24-15-19(28-21)16-4-7-18(8-5-16)25-10-12-29(26,27)13-11-25/h4-9,14-15H,10-13H2,1-3H3
InChIKeyPZJKWEYADWNGNH-UHFFFAOYSA-N
XLogP4.40
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.60
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide with MolForge

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Related Compounds

4-[5-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-1,3-thiazol-2-yl]-3-methylbenzonitrile
CID 144828100
4-[4-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839611
4-[4-[2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide
CID 144825472
carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
CID 160755106
4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine
CID 144828116
2-methyl-5-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole
CID 163230344
4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839576
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63060590
2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole
CID 122594500
5-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methyl-2-nitrothiophene-3-carboxamide
CID 70911759
2,2,2-trifluoro-1-[5-(4-thiomorpholin-4-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 166839592
4-(5-phenyl-1,3-thiazol-2-yl)benzenesulfonic acid
CID 88788376

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide (CID 144825399) is 4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide is CC(C)(C)c1ccc(-c2ncc(-c3ccc(N4CCS(=O)(=O)CC4)cc3)s2)cn1.
What is the InChIKey of 4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is PZJKWEYADWNGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S2/c1-22(2,3)20-9-6-17(14-23-20)21-24-15-19(28-21)16-4-7-18(8-5-16)25-10-12-29(26,27)13-11-25/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 427.60 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(6-tert-butyl-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 144825399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).