(4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

C15H17N3OS — CID 61117886

IUPAC(4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESCCn1cc(N)cc1C(=O)N1CCSc2ccccc21
InChIInChI=1S/C15H17N3OS/c1-2-17-10-11(16)9-13(17)15(19)18-7-8-20-14-6-4-3-5-12(14)18/h3-6,9-10H,2,7-8,16H2,1H3
InChIKeyFODGZBBADLPIJI-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.84
Rot. Bonds2

About (4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

(4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 61117886) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is (4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID61117886
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name(4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESCCn1cc(N)cc1C(=O)N1CCSc2ccccc21
InChIInChI=1S/C15H17N3OS/c1-2-17-10-11(16)9-13(17)15(19)18-7-8-20-14-6-4-3-5-12(14)18/h3-6,9-10H,2,7-8,16H2,1H3
InChIKeyFODGZBBADLPIJI-UHFFFAOYSA-N
XLogP2.84
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847
(5-amino-2-fluoro-3-methylphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 103296057
2-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
CID 79814596
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-ethylbutan-1-one
CID 110713052
(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51155277
[4-(aminomethyl)phenyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 61260592
(4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 60955021
2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylamino]acetic acid
CID 43442529
(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 107120654
(4-amino-1-ethylpyrrol-2-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61113186
(4-tert-butylphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51065210
3-amino-1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2,2-dimethylpropan-1-one
CID 113307633

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 61117886) is (4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is CCn1cc(N)cc1C(=O)N1CCSc2ccccc21.
What is the InChIKey of (4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is FODGZBBADLPIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-17-10-11(16)9-13(17)15(19)18-7-8-20-14-6-4-3-5-12(14)18/h3-6,9-10H,2,7-8,16H2,1H3.
What are the key properties of (4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
(4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 287.39 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 61117886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).