N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

C15H15N3O4S2 — CID 59330713

IUPACN-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILES[2H]C([2H])(C)c1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
InChIInChI=1S/C15H15N3O4S2/c1-3-9-8-16-15(23-9)17-14(20)12-13(19)10-6-4-5-7-11(10)24(21,22)18(12)2/h4-8,19H,3H2,1-2H3,(H,16,17,20)/i3D2
InChIKeyONHWCFKSQGOTCY-SMZGMGDZSA-N
MW367.45 g/mol
LogP2.20
Rot. Bonds3

About N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide

N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 59330713) has the molecular formula C15H15N3O4S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID59330713
Molecular FormulaC15H15N3O4S2
Molecular Weight367.45 g/mol
Exact Mass367.06
IUPAC NameN-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILES[2H]C([2H])(C)c1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
InChIInChI=1S/C15H15N3O4S2/c1-3-9-8-16-15(23-9)17-14(20)12-13(19)10-6-4-5-7-11(10)24(21,22)18(12)2/h4-8,19H,3H2,1-2H3,(H,16,17,20)/i3D2
InChIKeyONHWCFKSQGOTCY-SMZGMGDZSA-N
XLogP2.20
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-deuterio-5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-1,1-dioxo-2-(trideuteriomethyl)-1λ6,2-benzothiazine-3-carboxamide
CID 59330712
2-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylic acid
CID 131708840
N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 89059949
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
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54679479
N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-1,1-dioxo-2-(trideuteriomethyl)-1λ6,2-benzothiazine-3-carboxamide
CID 54750164
1,1,4-trihydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1λ4,2-benzothiazine-3-carboxamide
CID 87925359
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
4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-1λ6,2-benzothiazine-3-carboxamide;hydrate
CID 54705052
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
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 59330713) is N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is [2H]C([2H])(C)c1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1.
What is the InChIKey of N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is ONHWCFKSQGOTCY-SMZGMGDZSA-N. The full InChI is InChI=1S/C15H15N3O4S2/c1-3-9-8-16-15(23-9)17-14(20)12-13(19)10-6-4-5-7-11(10)24(21,22)18(12)2/h4-8,19H,3H2,1-2H3,(H,16,17,20)/i3D2.
What are the key properties of N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dideuterioethyl)-1,3-thiazol-2-yl]-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 59330713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).