2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide

C14H15N3O3S2 — CID 89109470

IUPAC2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=CC3C=CC=CC3S(=O)(=O)N2C)s1
InChIInChI=1S/C14H15N3O3S2/c1-9-8-15-14(21-9)16-13(18)11-7-10-5-3-4-6-12(10)22(19,20)17(11)2/h3-8,10,12H,1-2H3,(H,15,16,18)
InChIKeyAYEXCTSPWRLVKK-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.66
Rot. Bonds2

About 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide

2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 89109470) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide
PubChem CID89109470
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=CC3C=CC=CC3S(=O)(=O)N2C)s1
InChIInChI=1S/C14H15N3O3S2/c1-9-8-15-14(21-9)16-13(18)11-7-10-5-3-4-6-12(10)22(19,20)17(11)2/h3-8,10,12H,1-2H3,(H,15,16,18)
InChIKeyAYEXCTSPWRLVKK-UHFFFAOYSA-N
XLogP1.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide (CID 89109470) is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide is Cc1cnc(NC(=O)C2=CC3C=CC=CC3S(=O)(=O)N2C)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is AYEXCTSPWRLVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-9-8-15-14(21-9)16-13(18)11-7-10-5-3-4-6-12(10)22(19,20)17(11)2/h3-8,10,12H,1-2H3,(H,15,16,18).
What are the key properties of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide?
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4a,8a-dihydro-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 89109470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).