4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide

C14H15N3O4S2 — CID 155014807

IUPAC4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)C3=CCCC=C3S(=O)(=O)N2C)s1
InChIInChI=1S/C14H15N3O4S2/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/h5-7,18H,3-4H2,1-2H3,(H,15,16,19)
InChIKeyBCUBLDKVNVYLKV-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.04
Rot. Bonds2

About 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide

4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 155014807) has the molecular formula C14H15N3O4S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide
PubChem CID155014807
Molecular FormulaC14H15N3O4S2
Molecular Weight353.43 g/mol
Exact Mass353.05
IUPAC Name4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(O)C3=CCCC=C3S(=O)(=O)N2C)s1
InChIInChI=1S/C14H15N3O4S2/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/h5-7,18H,3-4H2,1-2H3,(H,15,16,19)
InChIKeyBCUBLDKVNVYLKV-UHFFFAOYSA-N
XLogP2.04
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide (CID 155014807) is 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide is Cc1cnc(NC(=O)C2=C(O)C3=CCCC=C3S(=O)(=O)N2C)s1.
What is the InChIKey of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is BCUBLDKVNVYLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S2/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/h5-7,18H,3-4H2,1-2H3,(H,15,16,19).
What are the key properties of 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide?
4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-6,7-dihydro-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 155014807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).