5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

C18H22N4O2S2 — CID 20951581

IUPAC5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(N2CCSc3ncccc32)s1
InChIInChI=1S/C18H22N4O2S2/c23-17(19-6-7-21-8-11-24-12-9-21)15-3-4-16(26-15)22-10-13-25-18-14(22)2-1-5-20-18/h1-5H,6-13H2,(H,19,23)
InChIKeyYZTFPJIHMUJFMG-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.45
Rot. Bonds5

About 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 20951581) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
PubChem CID20951581
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC Name5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(N2CCSc3ncccc32)s1
InChIInChI=1S/C18H22N4O2S2/c23-17(19-6-7-21-8-11-24-12-9-21)15-3-4-16(26-15)22-10-13-25-18-14(22)2-1-5-20-18/h1-5H,6-13H2,(H,19,23)
InChIKeyYZTFPJIHMUJFMG-UHFFFAOYSA-N
XLogP2.45
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
CID 20951532
N-[3-[benzyl(methyl)amino]propyl]-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
CID 20951587
N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
CID 20951530
N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921259
N-(2-morpholin-4-ylethyl)-5-phenylthiophene-2-carboxamide
CID 117082907
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 20940588
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
N-(3-morpholin-4-ylpropyl)-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
CID 20890074
5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 20947684
N-(2-morpholin-4-ylethyl)-1,6-naphthyridine-8-carboxamide
CID 91949050

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (CID 20951581) is 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is O=C(NCCN1CCOCC1)c1ccc(N2CCSc3ncccc32)s1.
What is the InChIKey of 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is YZTFPJIHMUJFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c23-17(19-6-7-21-8-11-24-12-9-21)15-3-4-16(26-15)22-10-13-25-18-14(22)2-1-5-20-18/h1-5H,6-13H2,(H,19,23).
What are the key properties of 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 20951581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).