N-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide

C14H12F3N5O3S — CID 146652754

IUPACN-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ncc(OCC(F)(F)F)c2sc(NC(=O)c3cnn(C)c3)nc12
InChIInChI=1S/C14H12F3N5O3S/c1-22-5-7(3-19-22)11(23)21-13-20-9-10(26-13)8(4-18-12(9)24-2)25-6-14(15,16)17/h3-5H,6H2,1-2H3,(H,20,21,23)
InChIKeyMPKOXZAHMLPXFS-UHFFFAOYSA-N
MW387.34 g/mol
LogP2.63
Rot. Bonds5

About N-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide

N-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 146652754) has the molecular formula C14H12F3N5O3S and a molecular weight of 387.34 g/mol. Its IUPAC name is N-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide
PubChem CID146652754
Molecular FormulaC14H12F3N5O3S
Molecular Weight387.34 g/mol
Exact Mass387.06
IUPAC NameN-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide
SMILESCOc1ncc(OCC(F)(F)F)c2sc(NC(=O)c3cnn(C)c3)nc12
InChIInChI=1S/C14H12F3N5O3S/c1-22-5-7(3-19-22)11(23)21-13-20-9-10(26-13)8(4-18-12(9)24-2)25-6-14(15,16)17/h3-5H,6H2,1-2H3,(H,20,21,23)
InChIKeyMPKOXZAHMLPXFS-UHFFFAOYSA-N
XLogP2.63
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide (CID 146652754) is N-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide is COc1ncc(OCC(F)(F)F)c2sc(NC(=O)c3cnn(C)c3)nc12.
What is the InChIKey of N-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is MPKOXZAHMLPXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O3S/c1-22-5-7(3-19-22)11(23)21-13-20-9-10(26-13)8(4-18-12(9)24-2)25-6-14(15,16)17/h3-5H,6H2,1-2H3,(H,20,21,23).
What are the key properties of N-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide?
N-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 387.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-7-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 146652754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).