2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide

C21H13N5O4S — CID 2139204

IUPAC2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C21H13N5O4S/c22-14(27)10-25-13-9-5-4-8-12(13)15(19(25)29)17-20(30)26-21(31-17)23-18(28)16(24-26)11-6-2-1-3-7-11/h1-9H,10H2,(H2,22,27)/b17-15-
InChIKeyGKAQKDISEHGJPP-ICFOKQHNSA-N
MW431.43 g/mol
LogP-0.07
Rot. Bonds3

About 2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide

2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide (PubChem CID 2139204) has the molecular formula C21H13N5O4S and a molecular weight of 431.43 g/mol. Its IUPAC name is 2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide
PubChem CID2139204
Molecular FormulaC21H13N5O4S
Molecular Weight431.43 g/mol
Exact Mass431.07
IUPAC Name2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C21H13N5O4S/c22-14(27)10-25-13-9-5-4-8-12(13)15(19(25)29)17-20(30)26-21(31-17)23-18(28)16(24-26)11-6-2-1-3-7-11/h1-9H,10H2,(H2,22,27)/b17-15-
InChIKeyGKAQKDISEHGJPP-ICFOKQHNSA-N
XLogP-0.07
TPSA127.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide?
The IUPAC name of 2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide (CID 2139204) is 2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide.
What is the SMILES notation for 2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide?
The canonical SMILES for 2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide is NC(=O)CN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21.
What is the InChIKey of 2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide?
The InChIKey is GKAQKDISEHGJPP-ICFOKQHNSA-N. The full InChI is InChI=1S/C21H13N5O4S/c22-14(27)10-25-13-9-5-4-8-12(13)15(19(25)29)17-20(30)26-21(31-17)23-18(28)16(24-26)11-6-2-1-3-7-11/h1-9H,10H2,(H2,22,27)/b17-15-.
What are the key properties of 2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide?
2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide has a molecular weight of 431.43 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-3-(3,7-dioxo-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene)-2-oxoindol-1-yl]acetamide is sourced from PubChem (CID 2139204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).