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

C15H10ClN3O4S3 — CID 54708900

IUPACN-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ncc(Cl)s2)=C(O)c2sc3ccccc3c2S1(=O)=O
InChIInChI=1S/C15H10ClN3O4S3/c1-19-10(14(21)18-15-17-6-9(16)25-15)11(20)12-13(26(19,22)23)7-4-2-3-5-8(7)24-12/h2-6,20H,1H3,(H,17,18,21)
InChIKeyMTHUNCNWBOUBCE-UHFFFAOYSA-N
MW427.92 g/mol
LogP3.51
Rot. Bonds2

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

N-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide (PubChem CID 54708900) has the molecular formula C15H10ClN3O4S3 and a molecular weight of 427.92 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
PubChem CID54708900
Molecular FormulaC15H10ClN3O4S3
Molecular Weight427.92 g/mol
Exact Mass426.95
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ncc(Cl)s2)=C(O)c2sc3ccccc3c2S1(=O)=O
InChIInChI=1S/C15H10ClN3O4S3/c1-19-10(14(21)18-15-17-6-9(16)25-15)11(20)12-13(26(19,22)23)7-4-2-3-5-8(7)24-12/h2-6,20H,1H3,(H,17,18,21)
InChIKeyMTHUNCNWBOUBCE-UHFFFAOYSA-N
XLogP3.51
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.92
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-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-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide (CID 54708900) is N-(5-chloro-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-(5-chloro-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-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide is CN1C(C(=O)Nc2ncc(Cl)s2)=C(O)c2sc3ccccc3c2S1(=O)=O.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide?
The InChIKey is MTHUNCNWBOUBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4S3/c1-19-10(14(21)18-15-17-6-9(16)25-15)11(20)12-13(26(19,22)23)7-4-2-3-5-8(7)24-12/h2-6,20H,1H3,(H,17,18,21).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide?
N-(5-chloro-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 427.92 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-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 54708900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).