N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide

C17H15N3O4S3 — CID 54697642

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
SMILESCc1nc(NC(=O)C2=C(O)c3sc4ccccc4c3S(=O)(=O)N2C)sc1C
InChIInChI=1S/C17H15N3O4S3/c1-8-9(2)25-17(18-8)19-16(22)12-13(21)14-15(27(23,24)20(12)3)10-6-4-5-7-11(10)26-14/h4-7,21H,1-3H3,(H,18,19,22)
InChIKeyUNAMCDUYZJGINN-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.47
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide (PubChem CID 54697642) has the molecular formula C17H15N3O4S3 and a molecular weight of 421.53 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
PubChem CID54697642
Molecular FormulaC17H15N3O4S3
Molecular Weight421.53 g/mol
Exact Mass421.02
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
SMILESCc1nc(NC(=O)C2=C(O)c3sc4ccccc4c3S(=O)(=O)N2C)sc1C
InChIInChI=1S/C17H15N3O4S3/c1-8-9(2)25-17(18-8)19-16(22)12-13(21)14-15(27(23,24)20(12)3)10-6-4-5-7-11(10)26-14/h4-7,21H,1-3H3,(H,18,19,22)
InChIKeyUNAMCDUYZJGINN-UHFFFAOYSA-N
XLogP3.47
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide (CID 54697642) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide is Cc1nc(NC(=O)C2=C(O)c3sc4ccccc4c3S(=O)(=O)N2C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide?
The InChIKey is UNAMCDUYZJGINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S3/c1-8-9(2)25-17(18-8)19-16(22)12-13(21)14-15(27(23,24)20(12)3)10-6-4-5-7-11(10)26-14/h4-7,21H,1-3H3,(H,18,19,22).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide is sourced from PubChem (CID 54697642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).