(4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide

C15H17N5O4S — CID 118443393

IUPAC(4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide
SMILESCO/N=C1/CCS(=O)(=O)c2ccc(C(=O)Nc3ncnn3C)c(C)c21
InChIInChI=1S/C15H17N5O4S/c1-9-10(14(21)18-15-16-8-17-20(15)2)4-5-12-13(9)11(19-24-3)6-7-25(12,22)23/h4-5,8H,6-7H2,1-3H3,(H,16,17,18,21)/b19-11-
InChIKeyWWBPHUFSWJJJQD-ODLFYWEKSA-N
MW363.40 g/mol
LogP0.90
Rot. Bonds3

About (4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide

(4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide (PubChem CID 118443393) has the molecular formula C15H17N5O4S and a molecular weight of 363.40 g/mol. Its IUPAC name is (4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide.

Molecular Properties

Compound Name(4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide
PubChem CID118443393
Molecular FormulaC15H17N5O4S
Molecular Weight363.40 g/mol
Exact Mass363.10
IUPAC Name(4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide
SMILESCO/N=C1/CCS(=O)(=O)c2ccc(C(=O)Nc3ncnn3C)c(C)c21
InChIInChI=1S/C15H17N5O4S/c1-9-10(14(21)18-15-16-8-17-20(15)2)4-5-12-13(9)11(19-24-3)6-7-25(12,22)23/h4-5,8H,6-7H2,1-3H3,(H,16,17,18,21)/b19-11-
InChIKeyWWBPHUFSWJJJQD-ODLFYWEKSA-N
XLogP0.90
TPSA115.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide?
The IUPAC name of (4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide (CID 118443393) is (4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide.
What is the SMILES notation for (4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide?
The canonical SMILES for (4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide is CO/N=C1/CCS(=O)(=O)c2ccc(C(=O)Nc3ncnn3C)c(C)c21.
What is the InChIKey of (4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide?
The InChIKey is WWBPHUFSWJJJQD-ODLFYWEKSA-N. The full InChI is InChI=1S/C15H17N5O4S/c1-9-10(14(21)18-15-16-8-17-20(15)2)4-5-12-13(9)11(19-24-3)6-7-25(12,22)23/h4-5,8H,6-7H2,1-3H3,(H,16,17,18,21)/b19-11-.
What are the key properties of (4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide?
(4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-methoxyimino-5-methyl-N-(2-methyl-1,2,4-triazol-3-yl)-1,1-dioxo-2,3-dihydrothiochromene-6-carboxamide is sourced from PubChem (CID 118443393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).