2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide

C19H12N6O3S — CID 18804548

IUPAC2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C19H12N6O3S/c20-13(26)9-24-12-4-2-1-3-11(12)14(17(24)27)15-18(28)25-19(29-15)22-16(23-25)10-5-7-21-8-6-10/h1-8H,9H2,(H2,20,26)/b15-14-
InChIKeyVQCVODNCLSXURE-PFONDFGASA-N
MW404.41 g/mol
LogP-0.04
Rot. Bonds3

About 2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide

2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide (PubChem CID 18804548) has the molecular formula C19H12N6O3S and a molecular weight of 404.41 g/mol. Its IUPAC name is 2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide
PubChem CID18804548
Molecular FormulaC19H12N6O3S
Molecular Weight404.41 g/mol
Exact Mass404.07
IUPAC Name2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide
SMILESNC(=O)CN1C(=O)/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2ccccc21
InChIInChI=1S/C19H12N6O3S/c20-13(26)9-24-12-4-2-1-3-11(12)14(17(24)27)15-18(28)25-19(29-15)22-16(23-25)10-5-7-21-8-6-10/h1-8H,9H2,(H2,20,26)/b15-14-
InChIKeyVQCVODNCLSXURE-PFONDFGASA-N
XLogP-0.04
TPSA123.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide?
The IUPAC name of 2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide (CID 18804548) is 2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide.
What is the SMILES notation for 2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide?
The canonical SMILES for 2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide is NC(=O)CN1C(=O)/C(=c2\sc3nc(-c4ccncc4)nn3c2=O)c2ccccc21.
What is the InChIKey of 2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide?
The InChIKey is VQCVODNCLSXURE-PFONDFGASA-N. The full InChI is InChI=1S/C19H12N6O3S/c20-13(26)9-24-12-4-2-1-3-11(12)14(17(24)27)15-18(28)25-19(29-15)22-16(23-25)10-5-7-21-8-6-10/h1-8H,9H2,(H2,20,26)/b15-14-.
What are the key properties of 2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide?
2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide has a molecular weight of 404.41 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-2-oxo-3-(6-oxo-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)indol-1-yl]acetamide is sourced from PubChem (CID 18804548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).