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

C17H15FN4O2S — CID 141443723

IUPACN-cyclopropyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
SMILESCc1c(C(=O)NC2CC2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12
InChIInChI=1S/C17H15FN4O2S/c1-9-14(16(24)19-12-6-7-12)25-17-20-15(23)13(21-22(9)17)8-10-2-4-11(18)5-3-10/h2-5,12H,6-8H2,1H3,(H,19,24)
InChIKeyMKAUFBRUKATJCK-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.08
Rot. Bonds4

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

N-cyclopropyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide (PubChem CID 141443723) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is N-cyclopropyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
PubChem CID141443723
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC NameN-cyclopropyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide
SMILESCc1c(C(=O)NC2CC2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12
InChIInChI=1S/C17H15FN4O2S/c1-9-14(16(24)19-12-6-7-12)25-17-20-15(23)13(21-22(9)17)8-10-2-4-11(18)5-3-10/h2-5,12H,6-8H2,1H3,(H,19,24)
InChIKeyMKAUFBRUKATJCK-UHFFFAOYSA-N
XLogP2.08
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide (CID 141443723) is N-cyclopropyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide is Cc1c(C(=O)NC2CC2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12.
What is the InChIKey of N-cyclopropyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
The InChIKey is MKAUFBRUKATJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-9-14(16(24)19-12-6-7-12)25-17-20-15(23)13(21-22(9)17)8-10-2-4-11(18)5-3-10/h2-5,12H,6-8H2,1H3,(H,19,24).
What are the key properties of N-cyclopropyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide?
N-cyclopropyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazine-2-carboxamide is sourced from PubChem (CID 141443723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).