6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

C18H16ClN3O2S — CID 141443708

IUPAC6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCC1=CSC2=NC(=O)C(Cc3ccccc3Cl)N(Cc3ccco3)N12
InChIInChI=1S/C18H16ClN3O2S/c1-12-11-25-18-20-17(23)16(9-13-5-2-3-7-15(13)19)21(22(12)18)10-14-6-4-8-24-14/h2-8,11,16H,9-10H2,1H3
InChIKeyGIUGNHMLCUPILY-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.07
Rot. Bonds4

About 6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (PubChem CID 141443708) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
PubChem CID141443708
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCC1=CSC2=NC(=O)C(Cc3ccccc3Cl)N(Cc3ccco3)N12
InChIInChI=1S/C18H16ClN3O2S/c1-12-11-25-18-20-17(23)16(9-13-5-2-3-7-15(13)19)21(22(12)18)10-14-6-4-8-24-14/h2-8,11,16H,9-10H2,1H3
InChIKeyGIUGNHMLCUPILY-UHFFFAOYSA-N
XLogP4.07
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The IUPAC name of 6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (CID 141443708) is 6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is CC1=CSC2=NC(=O)C(Cc3ccccc3Cl)N(Cc3ccco3)N12.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The InChIKey is GIUGNHMLCUPILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-12-11-25-18-20-17(23)16(9-13-5-2-3-7-15(13)19)21(22(12)18)10-14-6-4-8-24-14/h2-8,11,16H,9-10H2,1H3.
What are the key properties of 6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one has a molecular weight of 373.87 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]-5-(furan-2-ylmethyl)-3-methyl-6H-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is sourced from PubChem (CID 141443708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).