6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C25H26N4O2S2 — CID 53050134

IUPAC6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCSc1ccc(CNC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)cc1
InChIInChI=1S/C25H26N4O2S2/c1-16-13-17(2)27-24-22(16)29(11-12-33-24)25(31)28-20-6-4-5-19(14-20)23(30)26-15-18-7-9-21(32-3)10-8-18/h4-10,13-14H,11-12,15H2,1-3H3,(H,26,30)(H,28,31)
InChIKeyGYOWFBMDLNSJRI-UHFFFAOYSA-N
MW478.64 g/mol
LogP5.49
Rot. Bonds5

About 6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 53050134) has the molecular formula C25H26N4O2S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID53050134
Molecular FormulaC25H26N4O2S2
Molecular Weight478.64 g/mol
Exact Mass478.15
IUPAC Name6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCSc1ccc(CNC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)cc1
InChIInChI=1S/C25H26N4O2S2/c1-16-13-17(2)27-24-22(16)29(11-12-33-24)25(31)28-20-6-4-5-19(14-20)23(30)26-15-18-7-9-21(32-3)10-8-18/h4-10,13-14H,11-12,15H2,1-3H3,(H,26,30)(H,28,31)
InChIKeyGYOWFBMDLNSJRI-UHFFFAOYSA-N
XLogP5.49
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-dimethyl-N-[3-(propylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050076
N-[3-[2-(azepan-1-yl)ethylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050113
6,8-dimethyl-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050117
N-[3-[2-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050121
N-[3-[(3,4-dimethylphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050080
6,8-dimethyl-N-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050110
N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050060
N-[4-[(3-fluorophenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279635
N-[4-[3-(diethylamino)propylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921165
6,8-dimethyl-N-[4-[3-(N-methylanilino)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279651
6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921174
N-(2-chlorophenyl)-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53032649

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of 6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 53050134) is 6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for 6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for 6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is CSc1ccc(CNC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)cc1.
What is the InChIKey of 6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is GYOWFBMDLNSJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S2/c1-16-13-17(2)27-24-22(16)29(11-12-33-24)25(31)28-20-6-4-5-19(14-20)23(30)26-15-18-7-9-21(32-3)10-8-18/h4-10,13-14H,11-12,15H2,1-3H3,(H,26,30)(H,28,31).
What are the key properties of 6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 53050134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).