4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide

C12H15N3O4S2 — CID 143049757

IUPAC4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide
SMILESCC1=C(C)S(=O)(=O)N(C)C(C(=O)Nc2ncc(C)s2)=C1O
InChIInChI=1S/C12H15N3O4S2/c1-6-5-13-12(20-6)14-11(17)9-10(16)7(2)8(3)21(18,19)15(9)4/h5,16H,1-4H3,(H,13,14,17)
InChIKeyRLVWWTUGHODMMD-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.73
Rot. Bonds2

About 4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide

4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide (PubChem CID 143049757) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide
PubChem CID143049757
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Name4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide
SMILESCC1=C(C)S(=O)(=O)N(C)C(C(=O)Nc2ncc(C)s2)=C1O
InChIInChI=1S/C12H15N3O4S2/c1-6-5-13-12(20-6)14-11(17)9-10(16)7(2)8(3)21(18,19)15(9)4/h5,16H,1-4H3,(H,13,14,17)
InChIKeyRLVWWTUGHODMMD-UHFFFAOYSA-N
XLogP1.73
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 54683005
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
4-hydroxy-2-iodo-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 142985322
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-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6-(4-oxobutanoyl)-1λ6,2-benzothiazine-3-carboxamide
CID 89231808
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
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
(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-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-[(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylic acid
CID 131708840
1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 19580079

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide (CID 143049757) is 4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide is CC1=C(C)S(=O)(=O)N(C)C(C(=O)Nc2ncc(C)s2)=C1O.
What is the InChIKey of 4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide?
The InChIKey is RLVWWTUGHODMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-6-5-13-12(20-6)14-11(17)9-10(16)7(2)8(3)21(18,19)15(9)4/h5,16H,1-4H3,(H,13,14,17).
What are the key properties of 4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide?
4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,5,6-trimethyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothiazine-3-carboxamide is sourced from PubChem (CID 143049757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).