2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide

C17H15ClN4O2S — CID 141454197

IUPAC2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide
SMILESO=C(Cc1csc2nc(=O)c(Cc3ccccc3Cl)nn12)NC1CC1
InChIInChI=1S/C17H15ClN4O2S/c18-13-4-2-1-3-10(13)7-14-16(24)20-17-22(21-14)12(9-25-17)8-15(23)19-11-5-6-11/h1-4,9,11H,5-8H2,(H,19,23)
InChIKeyHGLPYGDPJGHXQU-UHFFFAOYSA-N
MW374.85 g/mol
LogP2.22
Rot. Bonds5

About 2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide

2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide (PubChem CID 141454197) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide
PubChem CID141454197
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide
SMILESO=C(Cc1csc2nc(=O)c(Cc3ccccc3Cl)nn12)NC1CC1
InChIInChI=1S/C17H15ClN4O2S/c18-13-4-2-1-3-10(13)7-14-16(24)20-17-22(21-14)12(9-25-17)8-15(23)19-11-5-6-11/h1-4,9,11H,5-8H2,(H,19,23)
InChIKeyHGLPYGDPJGHXQU-UHFFFAOYSA-N
XLogP2.22
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide (CID 141454197) is 2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide is O=C(Cc1csc2nc(=O)c(Cc3ccccc3Cl)nn12)NC1CC1.
What is the InChIKey of 2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide?
The InChIKey is HGLPYGDPJGHXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c18-13-4-2-1-3-10(13)7-14-16(24)20-17-22(21-14)12(9-25-17)8-15(23)19-11-5-6-11/h1-4,9,11H,5-8H2,(H,19,23).
What are the key properties of 2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide?
2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide has a molecular weight of 374.85 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2-chlorophenyl)methyl]-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 141454197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).