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

C25H26N4O2S — CID 20921174

IUPAC6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C25H26N4O2S/c1-16-15-17(2)26-24-22(16)29(13-14-32-24)25(31)28-21-11-9-20(10-12-21)23(30)27-18(3)19-7-5-4-6-8-19/h4-12,15,18H,13-14H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyHCKZZUZHAOXMJB-UHFFFAOYSA-N
MW446.58 g/mol
LogP5.33
Rot. Bonds4

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

6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 20921174) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound Name6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID20921174
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C25H26N4O2S/c1-16-15-17(2)26-24-22(16)29(13-14-32-24)25(31)28-21-11-9-20(10-12-21)23(30)27-18(3)19-7-5-4-6-8-19/h4-12,15,18H,13-14H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyHCKZZUZHAOXMJB-UHFFFAOYSA-N
XLogP5.33
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.58
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3,4-dimethylphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050080
2-(6,8-dimethyl-2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylethyl)acetamide
CID 20886069
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
N-[3-[2-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050121
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
4-[[2-(naphthalen-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54839780
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
ethyl N-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 9033040
N-(1-phenylethyl)-4-(1,2,2-tricyanoethenylamino)benzamide
CID 168607076
4-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248478
4-[[2-(3,4-dichloroanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54813173

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of 6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 20921174) is 6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for 6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for 6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is Cc1cc(C)c2c(n1)SCCN2C(=O)Nc1ccc(C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is HCKZZUZHAOXMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-16-15-17(2)26-24-22(16)29(13-14-32-24)25(31)28-21-11-9-20(10-12-21)23(30)27-18(3)19-7-5-4-6-8-19/h4-12,15,18H,13-14H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-[4-(1-phenylethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 20921174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).