N-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

C20H24N4O2S — CID 5307179

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2C(=O)CSc3ncccc32)c(C)c1
InChIInChI=1S/C20H24N4O2S/c1-4-23(5-2)15-8-9-16(14(3)11-15)22-18(25)12-24-17-7-6-10-21-20(17)27-13-19(24)26/h6-11H,4-5,12-13H2,1-3H3,(H,22,25)
InChIKeyIAVBQSLVXXOVJH-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.31
Rot. Bonds6

About N-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (PubChem CID 5307179) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
PubChem CID5307179
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2C(=O)CSc3ncccc32)c(C)c1
InChIInChI=1S/C20H24N4O2S/c1-4-23(5-2)15-8-9-16(14(3)11-15)22-18(25)12-24-17-7-6-10-21-20(17)27-13-19(24)26/h6-11H,4-5,12-13H2,1-3H3,(H,22,25)
InChIKeyIAVBQSLVXXOVJH-UHFFFAOYSA-N
XLogP3.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide (CID 5307179) is N-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is CCN(CC)c1ccc(NC(=O)CN2C(=O)CSc3ncccc32)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
The InChIKey is IAVBQSLVXXOVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-4-23(5-2)15-8-9-16(14(3)11-15)22-18(25)12-24-17-7-6-10-21-20(17)27-13-19(24)26/h6-11H,4-5,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide has a molecular weight of 384.51 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide is sourced from PubChem (CID 5307179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).