4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide

C25H26N4O2S — CID 56567177

IUPAC4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide
SMILESO=C(CCC(=O)N1CCSc2ccccc21)Nc1cccc(-c2cn3c(n2)CCCC3)c1
InChIInChI=1S/C25H26N4O2S/c30-24(11-12-25(31)29-14-15-32-22-9-2-1-8-21(22)29)26-19-7-5-6-18(16-19)20-17-28-13-4-3-10-23(28)27-20/h1-2,5-9,16-17H,3-4,10-15H2,(H,26,30)
InChIKeyHNSYBYADBWIDTN-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.74
Rot. Bonds5

About 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide

4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide (PubChem CID 56567177) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide
PubChem CID56567177
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide
SMILESO=C(CCC(=O)N1CCSc2ccccc21)Nc1cccc(-c2cn3c(n2)CCCC3)c1
InChIInChI=1S/C25H26N4O2S/c30-24(11-12-25(31)29-14-15-32-22-9-2-1-8-21(22)29)26-19-7-5-6-18(16-19)20-17-28-13-4-3-10-23(28)27-20/h1-2,5-9,16-17H,3-4,10-15H2,(H,26,30)
InChIKeyHNSYBYADBWIDTN-UHFFFAOYSA-N
XLogP4.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 55885429
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(5-methylpyrazol-1-yl)phenyl]-4-oxobutanamide
CID 56562791
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide
CID 60567580
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-oxobutanamide
CID 56562181
3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide
CID 71887416
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)butanamide
CID 56565693
(2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 94495320
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(5-phenyl-2-pyridinyl)butanamide
CID 56566996
2,3-dichloro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55885167
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[4-(methanesulfonamido)phenyl]-4-oxobutanamide
CID 56560525
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(1-methylpyrazol-3-yl)-4-oxobutanamide
CID 75369991
1-[(4-methoxyphenyl)methyl]-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075960

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide (CID 56567177) is 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide is O=C(CCC(=O)N1CCSc2ccccc21)Nc1cccc(-c2cn3c(n2)CCCC3)c1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide?
The InChIKey is HNSYBYADBWIDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c30-24(11-12-25(31)29-14-15-32-22-9-2-1-8-21(22)29)26-19-7-5-6-18(16-19)20-17-28-13-4-3-10-23(28)27-20/h1-2,5-9,16-17H,3-4,10-15H2,(H,26,30).
What are the key properties of 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide?
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide has a molecular weight of 446.58 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]butanamide is sourced from PubChem (CID 56567177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).