4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C19H20N2OS — CID 6622665

IUPAC4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C19H20N2OS/c22-19(20-16-7-8-16)15-6-9-18-17(12-15)21(10-11-23-18)13-14-4-2-1-3-5-14/h1-6,9,12,16H,7-8,10-11,13H2,(H,20,22)
InChIKeyLZCVYXYAMHBSLV-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.69
Rot. Bonds4

About 4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 6622665) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID6622665
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESO=C(NC1CC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2
InChIInChI=1S/C19H20N2OS/c22-19(20-16-7-8-16)15-6-9-18-17(12-15)21(10-11-23-18)13-14-4-2-1-3-5-14/h1-6,9,12,16H,7-8,10-11,13H2,(H,20,22)
InChIKeyLZCVYXYAMHBSLV-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of 4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 6622665) is 4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is O=C(NC1CC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2.
What is the InChIKey of 4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is LZCVYXYAMHBSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c22-19(20-16-7-8-16)15-6-9-18-17(12-15)21(10-11-23-18)13-14-4-2-1-3-5-14/h1-6,9,12,16H,7-8,10-11,13H2,(H,20,22).
What are the key properties of 4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-cyclopropyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 6622665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).