2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide

C17H19N3O4S2 — CID 59091003

IUPAC2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(OC(C)C)C3=C(CC=C=C3)S(=O)(=O)N2C)s1
InChIInChI=1S/C17H19N3O4S2/c1-10(2)24-15-12-7-5-6-8-13(12)26(22,23)20(4)14(15)16(21)19-17-18-9-11(3)25-17/h6-7,9-10H,8H2,1-4H3,(H,18,19,21)
InChIKeyGPAXAOKHWGCXTC-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.67
Rot. Bonds4

About 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide

2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide (PubChem CID 59091003) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide
PubChem CID59091003
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=C(OC(C)C)C3=C(CC=C=C3)S(=O)(=O)N2C)s1
InChIInChI=1S/C17H19N3O4S2/c1-10(2)24-15-12-7-5-6-8-13(12)26(22,23)20(4)14(15)16(21)19-17-18-9-11(3)25-17/h6-7,9-10H,8H2,1-4H3,(H,18,19,21)
InChIKeyGPAXAOKHWGCXTC-UHFFFAOYSA-N
XLogP2.67
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide (CID 59091003) is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide is Cc1cnc(NC(=O)C2=C(OC(C)C)C3=C(CC=C=C3)S(=O)(=O)N2C)s1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide?
The InChIKey is GPAXAOKHWGCXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-10(2)24-15-12-7-5-6-8-13(12)26(22,23)20(4)14(15)16(21)19-17-18-9-11(3)25-17/h6-7,9-10H,8H2,1-4H3,(H,18,19,21).
What are the key properties of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide?
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-4-propan-2-yloxy-8H-benzo[e]thiazine-3-carboxamide is sourced from PubChem (CID 59091003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).