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

C17H15ClN4O2S — CID 141443699

IUPAC6-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
SMILESCc1c(C(=O)NC2CC2)sc2nc(=O)c(Cc3ccccc3Cl)nn12
InChIInChI=1S/C17H15ClN4O2S/c1-9-14(16(24)19-11-6-7-11)25-17-20-15(23)13(21-22(9)17)8-10-4-2-3-5-12(10)18/h2-5,11H,6-8H2,1H3,(H,19,24)
InChIKeyFSEVAXBTJORINK-UHFFFAOYSA-N
MW374.85 g/mol
LogP2.60
Rot. Bonds4

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

6-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide (PubChem CID 141443699) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
PubChem CID141443699
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC Name6-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
SMILESCc1c(C(=O)NC2CC2)sc2nc(=O)c(Cc3ccccc3Cl)nn12
InChIInChI=1S/C17H15ClN4O2S/c1-9-14(16(24)19-11-6-7-11)25-17-20-15(23)13(21-22(9)17)8-10-4-2-3-5-12(10)18/h2-5,11H,6-8H2,1H3,(H,19,24)
InChIKeyFSEVAXBTJORINK-UHFFFAOYSA-N
XLogP2.60
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
The IUPAC name of 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide (CID 141443699) is 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide is Cc1c(C(=O)NC2CC2)sc2nc(=O)c(Cc3ccccc3Cl)nn12.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
The InChIKey is FSEVAXBTJORINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-9-14(16(24)19-11-6-7-11)25-17-20-15(23)13(21-22(9)17)8-10-4-2-3-5-12(10)18/h2-5,11H,6-8H2,1H3,(H,19,24).
What are the key properties of 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
6-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide has a molecular weight of 374.85 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]-N-cyclopropyl-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide is sourced from PubChem (CID 141443699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).