N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide

C16H11ClFN3OS — CID 56953389

IUPACN-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nccc2nc(-c3c(F)cccc3Cl)sc12)C1CC1
InChIInChI=1S/C16H11ClFN3OS/c17-9-2-1-3-10(18)12(9)16-20-11-6-7-19-14(13(11)23-16)21-15(22)8-4-5-8/h1-3,6-8H,4-5H2,(H,19,21,22)
InChIKeyXDUNESVJYWYKDD-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.50
Rot. Bonds3

About N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide

N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide (PubChem CID 56953389) has the molecular formula C16H11ClFN3OS and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
PubChem CID56953389
Molecular FormulaC16H11ClFN3OS
Molecular Weight347.80 g/mol
Exact Mass347.03
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nccc2nc(-c3c(F)cccc3Cl)sc12)C1CC1
InChIInChI=1S/C16H11ClFN3OS/c17-9-2-1-3-10(18)12(9)16-20-11-6-7-19-14(13(11)23-16)21-15(22)8-4-5-8/h1-3,6-8H,4-5H2,(H,19,21,22)
InChIKeyXDUNESVJYWYKDD-UHFFFAOYSA-N
XLogP4.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide (CID 56953389) is N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide is O=C(Nc1nccc2nc(-c3c(F)cccc3Cl)sc12)C1CC1.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
The InChIKey is XDUNESVJYWYKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3OS/c17-9-2-1-3-10(18)12(9)16-20-11-6-7-19-14(13(11)23-16)21-15(22)8-4-5-8/h1-3,6-8H,4-5H2,(H,19,21,22).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide?
N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide has a molecular weight of 347.80 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 56953389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).