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

C14H13N3O4S2 — CID 89059949

IUPACN-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILES[2H]c1nc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)sc1C
InChIInChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)/i7D
InChIKeyZRVUJXDFFKFLMG-WHRKIXHSSA-N
MW352.42 g/mol
LogP1.95
Rot. Bonds2

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

N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 89059949) has the molecular formula C14H13N3O4S2 and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID89059949
Molecular FormulaC14H13N3O4S2
Molecular Weight352.42 g/mol
Exact Mass352.04
IUPAC NameN-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILES[2H]c1nc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)sc1C
InChIInChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)/i7D
InChIKeyZRVUJXDFFKFLMG-WHRKIXHSSA-N
XLogP1.95
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Meloxicam
CID 54677470
Sudoxicam
CID 54682951
Meloxicam Sodium
CID 4051
4-hydroxy-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
CID 54686705
Meloxicam sodium salt hydrate
CID 23702962
O-Methyl Meloxicam
CID 23331598
5-Hydroxymethyl meloxicam
CID 54738103
4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 54698884
2H-(1)Benzothieno(2,3-e)-1,2-thiazine-3-carboxamide, 4-hydroxy-2-methyl-N-2-thiazolyl-, 1,1-dioxide
CID 54697641
2H-(1)Benzothieno(2,3-e)-1,2-thiazine-3-carboxamide, N-(4,5-dimethyl-2-thiazolyl)-4-hydroxy-2-methyl-, 1,1-dioxide
CID 54697642
2H-(1)Benzothieno(2,3-e)-1,2-thiazine-3-carboxamide, N-(5-chloro-2-thiazolyl)-4-hydroxy-2-methyl-, 1,1-dioxide
CID 54708900
4-Hydroxy-2-(~2~H_3_)methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2-benzothiazine-3-carboxamide
CID 54682543

Frequently Asked Questions

What is the IUPAC name of N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 89059949) is N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is [2H]c1nc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)sc1C.
What is the InChIKey of N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is ZRVUJXDFFKFLMG-WHRKIXHSSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)/i7D.
What are the key properties of N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-deuterio-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 89059949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).