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

C16H17N3O4S2 — CID 71316609

IUPACN-(3-ethyl-5-methyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCCn1cc(C)s/c1=N/C(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C16H17N3O4S2/c1-4-19-9-10(2)24-16(19)17-15(21)13-14(20)11-7-5-6-8-12(11)25(22,23)18(13)3/h5-9,20H,4H2,1-3H3/b17-16+
InChIKeyOMOBKXDGWGHXMU-WUKNDPDISA-N
MW379.46 g/mol
LogP1.87
Rot. Bonds2

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

N-(3-ethyl-5-methyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (PubChem CID 71316609) has the molecular formula C16H17N3O4S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3-ethyl-5-methyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-5-methyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
PubChem CID71316609
Molecular FormulaC16H17N3O4S2
Molecular Weight379.46 g/mol
Exact Mass379.07
IUPAC NameN-(3-ethyl-5-methyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
SMILESCCn1cc(C)s/c1=N/C(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
InChIInChI=1S/C16H17N3O4S2/c1-4-19-9-10(2)24-16(19)17-15(21)13-14(20)11-7-5-6-8-12(11)25(22,23)18(13)3/h5-9,20H,4H2,1-3H3/b17-16+
InChIKeyOMOBKXDGWGHXMU-WUKNDPDISA-N
XLogP1.87
TPSA91.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5-methyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The IUPAC name of N-(3-ethyl-5-methyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide (CID 71316609) is N-(3-ethyl-5-methyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-5-methyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The canonical SMILES for N-(3-ethyl-5-methyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is CCn1cc(C)s/c1=N/C(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C.
What is the InChIKey of N-(3-ethyl-5-methyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
The InChIKey is OMOBKXDGWGHXMU-WUKNDPDISA-N. The full InChI is InChI=1S/C16H17N3O4S2/c1-4-19-9-10(2)24-16(19)17-15(21)13-14(20)11-7-5-6-8-12(11)25(22,23)18(13)3/h5-9,20H,4H2,1-3H3/b17-16+.
What are the key properties of N-(3-ethyl-5-methyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide?
N-(3-ethyl-5-methyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5-methyl-1,3-thiazol-2-ylidene)-4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide is sourced from PubChem (CID 71316609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).