N,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide

C21H16Cl2N4O2S — CID 141443700

IUPACN,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2Cl)sc2nc(=O)c(Cc3ccccc3Cl)nn12
InChIInChI=1S/C21H16Cl2N4O2S/c1-12-18(20(29)24-11-14-7-3-5-9-16(14)23)30-21-25-19(28)17(26-27(12)21)10-13-6-2-4-8-15(13)22/h2-9H,10-11H2,1H3,(H,24,29)
InChIKeyBXSYDCWYJAHPSY-UHFFFAOYSA-N
MW459.36 g/mol
LogP4.29
Rot. Bonds5

About N,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide

N,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide (PubChem CID 141443700) has the molecular formula C21H16Cl2N4O2S and a molecular weight of 459.36 g/mol. Its IUPAC name is N,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide.

Molecular Properties

Compound NameN,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
PubChem CID141443700
Molecular FormulaC21H16Cl2N4O2S
Molecular Weight459.36 g/mol
Exact Mass458.04
IUPAC NameN,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2Cl)sc2nc(=O)c(Cc3ccccc3Cl)nn12
InChIInChI=1S/C21H16Cl2N4O2S/c1-12-18(20(29)24-11-14-7-3-5-9-16(14)23)30-21-25-19(28)17(26-27(12)21)10-13-6-2-4-8-15(13)22/h2-9H,10-11H2,1H3,(H,24,29)
InChIKeyBXSYDCWYJAHPSY-UHFFFAOYSA-N
XLogP4.29
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-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-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
The IUPAC name of N,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide (CID 141443700) is N,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide.
What is the SMILES notation for N,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
The canonical SMILES for N,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide is Cc1c(C(=O)NCc2ccccc2Cl)sc2nc(=O)c(Cc3ccccc3Cl)nn12.
What is the InChIKey of N,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
The InChIKey is BXSYDCWYJAHPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O2S/c1-12-18(20(29)24-11-14-7-3-5-9-16(14)23)30-21-25-19(28)17(26-27(12)21)10-13-6-2-4-8-15(13)22/h2-9H,10-11H2,1H3,(H,24,29).
What are the key properties of N,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
N,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide has a molecular weight of 459.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-bis[(2-chlorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide is sourced from PubChem (CID 141443700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).