N-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide

C20H17F2N5O2S — CID 71788132

IUPACN-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
SMILESO=C(CN1CCc2nc(NC(=O)c3ccccn3)sc2C1)Nc1ccc(F)cc1F
InChIInChI=1S/C20H17F2N5O2S/c21-12-4-5-14(13(22)9-12)24-18(28)11-27-8-6-15-17(10-27)30-20(25-15)26-19(29)16-3-1-2-7-23-16/h1-5,7,9H,6,8,10-11H2,(H,24,28)(H,25,26,29)
InChIKeyJNJJHLCBZHWSBL-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.07
Rot. Bonds5

About N-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide

N-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (PubChem CID 71788132) has the molecular formula C20H17F2N5O2S and a molecular weight of 429.45 g/mol. Its IUPAC name is N-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
PubChem CID71788132
Molecular FormulaC20H17F2N5O2S
Molecular Weight429.45 g/mol
Exact Mass429.11
IUPAC NameN-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
SMILESO=C(CN1CCc2nc(NC(=O)c3ccccn3)sc2C1)Nc1ccc(F)cc1F
InChIInChI=1S/C20H17F2N5O2S/c21-12-4-5-14(13(22)9-12)24-18(28)11-27-8-6-15-17(10-27)30-20(25-15)26-19(29)16-3-1-2-7-23-16/h1-5,7,9H,6,8,10-11H2,(H,24,28)(H,25,26,29)
InChIKeyJNJJHLCBZHWSBL-UHFFFAOYSA-N
XLogP3.07
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide (CID 71788132) is N-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is O=C(CN1CCc2nc(NC(=O)c3ccccn3)sc2C1)Nc1ccc(F)cc1F.
What is the InChIKey of N-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?
The InChIKey is JNJJHLCBZHWSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2S/c21-12-4-5-14(13(22)9-12)24-18(28)11-27-8-6-15-17(10-27)30-20(25-15)26-19(29)16-3-1-2-7-23-16/h1-5,7,9H,6,8,10-11H2,(H,24,28)(H,25,26,29).
What are the key properties of N-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide?
N-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,4-difluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71788132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).