N-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide

C23H26N4OS2 — CID 20951587

IUPACN-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
SMILESCN(CCCNC(=O)c1ccc(N2CCSc3ncccc32)s1)Cc1ccccc1
InChIInChI=1S/C23H26N4OS2/c1-26(17-18-7-3-2-4-8-18)14-6-13-24-22(28)20-10-11-21(30-20)27-15-16-29-23-19(27)9-5-12-25-23/h2-5,7-12H,6,13-17H2,1H3,(H,24,28)
InChIKeyDVPQJRTVQUTJQJ-UHFFFAOYSA-N
MW438.62 g/mol
LogP4.64
Rot. Bonds8

About N-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide (PubChem CID 20951587) has the molecular formula C23H26N4OS2 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
PubChem CID20951587
Molecular FormulaC23H26N4OS2
Molecular Weight438.62 g/mol
Exact Mass438.15
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
SMILESCN(CCCNC(=O)c1ccc(N2CCSc3ncccc32)s1)Cc1ccccc1
InChIInChI=1S/C23H26N4OS2/c1-26(17-18-7-3-2-4-8-18)14-6-13-24-22(28)20-10-11-21(30-20)27-15-16-29-23-19(27)9-5-12-25-23/h2-5,7-12H,6,13-17H2,1H3,(H,24,28)
InChIKeyDVPQJRTVQUTJQJ-UHFFFAOYSA-N
XLogP4.64
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
CID 20951584
5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 20951581
N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
CID 20951532
N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
CID 20951530
5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
CID 20951569
5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 20940558
N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 41306594
N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 41306986
5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide
CID 20940563
5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide
CID 20940575
5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide
CID 20947629
N-[3-[benzyl(methyl)amino]propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55756710

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide (CID 20951587) is N-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide is CN(CCCNC(=O)c1ccc(N2CCSc3ncccc32)s1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide?
The InChIKey is DVPQJRTVQUTJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS2/c1-26(17-18-7-3-2-4-8-18)14-6-13-24-22(28)20-10-11-21(30-20)27-15-16-29-23-19(27)9-5-12-25-23/h2-5,7-12H,6,13-17H2,1H3,(H,24,28).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide has a molecular weight of 438.62 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 20951587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).