6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide

C14H12ClN3O4S2 — CID 10834001

IUPAC6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)N(C)S(=O)(=O)c3ccc(Cl)cc32)s1
InChIInChI=1S/C14H12ClN3O4S2/c1-7-6-16-14(23-7)17-12(19)11-9-5-8(15)3-4-10(9)24(21,22)18(2)13(11)20/h3-6,20H,1-2H3,(H,16,17,19)
InChIKeyDWLFYKGHMSLWFR-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.60
Rot. Bonds2

About 6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide

6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide (PubChem CID 10834001) has the molecular formula C14H12ClN3O4S2 and a molecular weight of 385.85 g/mol. Its IUPAC name is 6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide
PubChem CID10834001
Molecular FormulaC14H12ClN3O4S2
Molecular Weight385.85 g/mol
Exact Mass385.00
IUPAC Name6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)N(C)S(=O)(=O)c3ccc(Cl)cc32)s1
InChIInChI=1S/C14H12ClN3O4S2/c1-7-6-16-14(23-7)17-12(19)11-9-5-8(15)3-4-10(9)24(21,22)18(2)13(11)20/h3-6,20H,1-2H3,(H,16,17,19)
InChIKeyDWLFYKGHMSLWFR-UHFFFAOYSA-N
XLogP2.60
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide?
The IUPAC name of 6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide (CID 10834001) is 6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide is Cc1cnc(NC(=O)C2=C(O)N(C)S(=O)(=O)c3ccc(Cl)cc32)s1.
What is the InChIKey of 6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide?
The InChIKey is DWLFYKGHMSLWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4S2/c1-7-6-16-14(23-7)17-12(19)11-9-5-8(15)3-4-10(9)24(21,22)18(2)13(11)20/h3-6,20H,1-2H3,(H,16,17,19).
What are the key properties of 6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide?
6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide is sourced from PubChem (CID 10834001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).