N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C17H13N3O2S2 — CID 7942563

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCn1/c(=N/C(=O)c2ccc3c(c2)NC(=O)CS3)sc2ccccc21
InChIInChI=1S/C17H13N3O2S2/c1-20-12-4-2-3-5-14(12)24-17(20)19-16(22)10-6-7-13-11(8-10)18-15(21)9-23-13/h2-8H,9H2,1H3,(H,18,21)/b19-17-
InChIKeyIQHIACCHUWHSNT-ZPHPHTNESA-N
MW355.44 g/mol
LogP3.03
Rot. Bonds1

About N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 7942563) has the molecular formula C17H13N3O2S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID7942563
Molecular FormulaC17H13N3O2S2
Molecular Weight355.44 g/mol
Exact Mass355.04
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCn1/c(=N/C(=O)c2ccc3c(c2)NC(=O)CS3)sc2ccccc21
InChIInChI=1S/C17H13N3O2S2/c1-20-12-4-2-3-5-14(12)24-17(20)19-16(22)10-6-7-13-11(8-10)18-15(21)9-23-13/h2-8H,9H2,1H3,(H,18,21)/b19-17-
InChIKeyIQHIACCHUWHSNT-ZPHPHTNESA-N
XLogP3.03
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 7942563) is N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is Cn1/c(=N/C(=O)c2ccc3c(c2)NC(=O)CS3)sc2ccccc21.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is IQHIACCHUWHSNT-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H13N3O2S2/c1-20-12-4-2-3-5-14(12)24-17(20)19-16(22)10-6-7-13-11(8-10)18-15(21)9-23-13/h2-8H,9H2,1H3,(H,18,21)/b19-17-.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 7942563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).