(4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

C16H15BrN2OS — CID 60955021

IUPAC(4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1cc(Br)cn1C1CC1)N1CCSc2ccccc21
InChIInChI=1S/C16H15BrN2OS/c17-11-9-14(19(10-11)12-5-6-12)16(20)18-7-8-21-15-4-2-1-3-13(15)18/h1-4,9-10,12H,5-8H2
InChIKeyBWZIGCWIZZCYPF-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.34
Rot. Bonds2

About (4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone

(4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (PubChem CID 60955021) has the molecular formula C16H15BrN2OS and a molecular weight of 363.28 g/mol. Its IUPAC name is (4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
PubChem CID60955021
Molecular FormulaC16H15BrN2OS
Molecular Weight363.28 g/mol
Exact Mass362.01
IUPAC Name(4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
SMILESO=C(c1cc(Br)cn1C1CC1)N1CCSc2ccccc21
InChIInChI=1S/C16H15BrN2OS/c17-11-9-14(19(10-11)12-5-6-12)16(20)18-7-8-21-15-4-2-1-3-13(15)18/h1-4,9-10,12H,5-8H2
InChIKeyBWZIGCWIZZCYPF-UHFFFAOYSA-N
XLogP4.34
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 51155277
(4-bromo-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 43641097
(5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 62001205
(4-amino-1-ethylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 61117886
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847
(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 78780639
(2-bromo-4-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 103756375
2,3-dihydro-1,4-benzothiazin-4-yl-(4-fluorophenyl)methanone
CID 47005084
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43640610
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43641790
2-(3-bromophenoxy)-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 112781455
(5-amino-2-fluoro-3-methylphenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 103296057

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The IUPAC name of (4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone (CID 60955021) is (4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone.
What is the SMILES notation for (4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The canonical SMILES for (4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is O=C(c1cc(Br)cn1C1CC1)N1CCSc2ccccc21.
What is the InChIKey of (4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
The InChIKey is BWZIGCWIZZCYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2OS/c17-11-9-14(19(10-11)12-5-6-12)16(20)18-7-8-21-15-4-2-1-3-13(15)18/h1-4,9-10,12H,5-8H2.
What are the key properties of (4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone?
(4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone has a molecular weight of 363.28 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-cyclopropylpyrrol-2-yl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone is sourced from PubChem (CID 60955021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).