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

C14H12ClN3O4S2 — CID 54683005

IUPAC6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)c3cc(Cl)ccc3S(=O)(=O)N2C)s1
InChIInChI=1S/C14H12ClN3O4S2/c1-7-6-16-14(23-7)17-13(20)11-12(19)9-5-8(15)3-4-10(9)24(21,22)18(11)2/h3-6,19H,1-2H3,(H,16,17,20)
InChIKeyPCFKTFSTZWIDRB-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.60
Rot. Bonds2

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

6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 54683005) has the molecular formula C14H12ClN3O4S2 and a molecular weight of 385.85 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID54683005
Molecular FormulaC14H12ClN3O4S2
Molecular Weight385.85 g/mol
Exact Mass385.00
IUPAC Name6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)c3cc(Cl)ccc3S(=O)(=O)N2C)s1
InChIInChI=1S/C14H12ClN3O4S2/c1-7-6-16-14(23-7)17-13(20)11-12(19)9-5-8(15)3-4-10(9)24(21,22)18(11)2/h3-6,19H,1-2H3,(H,16,17,20)
InChIKeyPCFKTFSTZWIDRB-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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Related Compounds

6-chloro-3-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-4-carboxamide
CID 10834001
4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6-(4-oxobutanoyl)-1λ6,2-benzothiazine-3-carboxamide
CID 89231808
hexanedioic acid;bis(4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide)
CID 139196156
1,1,4-trihydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1λ4,2-benzothiazine-3-carboxamide
CID 87925359
N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 89059949
4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide
CID 143049757
4-hydroxy-2-iodo-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 142985322
(2S)-2,6-diaminohexanoic acid;4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 71550682
2-acetyloxybenzoic acid;4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54746921
2-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylic acid
CID 131708840
4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide;2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 118539176
5,6,7,8-tetradeuterio-N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54750163

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 54683005) is 6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is Cc1cnc(NC(=O)C2=C(O)c3cc(Cl)ccc3S(=O)(=O)N2C)s1.
What is the InChIKey of 6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is PCFKTFSTZWIDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4S2/c1-7-6-16-14(23-7)17-13(20)11-12(19)9-5-8(15)3-4-10(9)24(21,22)18(11)2/h3-6,19H,1-2H3,(H,16,17,20).
What are the key properties of 6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-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-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 54683005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).