N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

C22H17ClN4O3S — CID 108728514

IUPACN-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3nc4scc(-c5ccc(Cl)cc5)n4n3)ccc2O1
InChIInChI=1S/C22H17ClN4O3S/c1-22(2)10-17(28)15-9-13(5-8-18(15)30-22)19(29)24-20-25-21-27(26-20)16(11-31-21)12-3-6-14(23)7-4-12/h3-9,11H,10H2,1-2H3,(H,24,26,29)
InChIKeySCXAHYVSPXKUQH-UHFFFAOYSA-N
MW452.92 g/mol
LogP5.11
Rot. Bonds3

About N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (PubChem CID 108728514) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
PubChem CID108728514
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.92 g/mol
Exact Mass452.07
IUPAC NameN-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3nc4scc(-c5ccc(Cl)cc5)n4n3)ccc2O1
InChIInChI=1S/C22H17ClN4O3S/c1-22(2)10-17(28)15-9-13(5-8-18(15)30-22)19(29)24-20-25-21-27(26-20)16(11-31-21)12-3-6-14(23)7-4-12/h3-9,11H,10H2,1-2H3,(H,24,26,29)
InChIKeySCXAHYVSPXKUQH-UHFFFAOYSA-N
XLogP5.11
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.92
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The IUPAC name of N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (CID 108728514) is N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3nc4scc(-c5ccc(Cl)cc5)n4n3)ccc2O1.
What is the InChIKey of N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The InChIKey is SCXAHYVSPXKUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c1-22(2)10-17(28)15-9-13(5-8-18(15)30-22)19(29)24-20-25-21-27(26-20)16(11-31-21)12-3-6-14(23)7-4-12/h3-9,11H,10H2,1-2H3,(H,24,26,29).
What are the key properties of N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide has a molecular weight of 452.92 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is sourced from PubChem (CID 108728514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).