N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide

C16H12N4O3S — CID 108727609

IUPACN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide
SMILESCc1sc2nc(NC(=O)c3cc4ccccc4oc3=O)nn2c1C
InChIInChI=1S/C16H12N4O3S/c1-8-9(2)24-16-18-15(19-20(8)16)17-13(21)11-7-10-5-3-4-6-12(10)23-14(11)22/h3-7H,1-2H3,(H,17,19,21)
InChIKeyPCZALMWTGMISDM-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.77
Rot. Bonds2

About N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide

N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide (PubChem CID 108727609) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide
PubChem CID108727609
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC NameN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide
SMILESCc1sc2nc(NC(=O)c3cc4ccccc4oc3=O)nn2c1C
InChIInChI=1S/C16H12N4O3S/c1-8-9(2)24-16-18-15(19-20(8)16)17-13(21)11-7-10-5-3-4-6-12(10)23-14(11)22/h3-7H,1-2H3,(H,17,19,21)
InChIKeyPCZALMWTGMISDM-UHFFFAOYSA-N
XLogP2.77
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-oxochromene-3-carboxamide
CID 108728996
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-oxochromene-3-carboxamide
CID 1185919
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 82330981
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 4127819
2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide
CID 30183382
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-propan-2-ylbenzamide
CID 108727684
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
CID 110665891

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide (CID 108727609) is N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide is Cc1sc2nc(NC(=O)c3cc4ccccc4oc3=O)nn2c1C.
What is the InChIKey of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide?
The InChIKey is PCZALMWTGMISDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S/c1-8-9(2)24-16-18-15(19-20(8)16)17-13(21)11-7-10-5-3-4-6-12(10)23-14(11)22/h3-7H,1-2H3,(H,17,19,21).
What are the key properties of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide?
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 108727609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).