3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide

C19H17N5O2S — CID 37121493

IUPAC3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H17N5O2S/c25-18(22-14-5-7-15(8-6-14)24-13-20-12-21-24)9-10-23-16-3-1-2-4-17(16)27-11-19(23)26/h1-8,12-13H,9-11H2,(H,22,25)
InChIKeyWSTGFAJAHGTRIB-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.73
Rot. Bonds5

About 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide

3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide (PubChem CID 37121493) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
PubChem CID37121493
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
SMILESO=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H17N5O2S/c25-18(22-14-5-7-15(8-6-14)24-13-20-12-21-24)9-10-23-16-3-1-2-4-17(16)27-11-19(23)26/h1-8,12-13H,9-11H2,(H,22,25)
InChIKeyWSTGFAJAHGTRIB-UHFFFAOYSA-N
XLogP2.73
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide (CID 37121493) is 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide is O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
The InChIKey is WSTGFAJAHGTRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S/c25-18(22-14-5-7-15(8-6-14)24-13-20-12-21-24)9-10-23-16-3-1-2-4-17(16)27-11-19(23)26/h1-8,12-13H,9-11H2,(H,22,25).
What are the key properties of 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide?
3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide has a molecular weight of 379.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 37121493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).