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

C22H21N3OS2 — CID 20951569

IUPAC5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1ccc(N2CCSc3ncccc32)s1
InChIInChI=1S/C22H21N3OS2/c26-21(24-17-8-3-6-15-5-1-2-7-16(15)17)19-10-11-20(28-19)25-13-14-27-22-18(25)9-4-12-23-22/h1-2,4-5,7,9-12,17H,3,6,8,13-14H2,(H,24,26)
InChIKeySYUQXXSSAABYRH-UHFFFAOYSA-N
MW407.56 g/mol
LogP5.19
Rot. Bonds3

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

5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide (PubChem CID 20951569) has the molecular formula C22H21N3OS2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
PubChem CID20951569
Molecular FormulaC22H21N3OS2
Molecular Weight407.56 g/mol
Exact Mass407.11
IUPAC Name5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1ccc(N2CCSc3ncccc32)s1
InChIInChI=1S/C22H21N3OS2/c26-21(24-17-8-3-6-15-5-1-2-7-16(15)17)19-10-11-20(28-19)25-13-14-27-22-18(25)9-4-12-23-22/h1-2,4-5,7,9-12,17H,3,6,8,13-14H2,(H,24,26)
InChIKeySYUQXXSSAABYRH-UHFFFAOYSA-N
XLogP5.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 92691885
N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 92691884
N-(2-chlorophenyl)-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
CID 20951530
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
2-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072951
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-2,3-dihydro-1,4-dithiine-5-carboxylate
CID 6930464
5-oxo-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 96548697
2-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 32694198
1-(2-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole-3-carboxamide
CID 42692709
6-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072949

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide?
The IUPAC name of 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) is 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide is O=C(NC1CCCc2ccccc21)c1ccc(N2CCSc3ncccc32)s1.
What is the InChIKey of 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide?
The InChIKey is SYUQXXSSAABYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS2/c26-21(24-17-8-3-6-15-5-1-2-7-16(15)17)19-10-11-20(28-19)25-13-14-27-22-18(25)9-4-12-23-22/h1-2,4-5,7,9-12,17H,3,6,8,13-14H2,(H,24,26).
What are the key properties of 5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide?
5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-(1,2,3,4-tetrahydronaphthalen-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 20951569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).