2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C20H20FN5O2S — CID 25096001

IUPAC2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c1
InChIInChI=1S/C20H20FN5O2S/c1-28-13-2-3-15(21)14(10-13)20-25-17(12-29-20)19(27)24-16-11-23-5-4-18(16)26-8-6-22-7-9-26/h2-5,10-12,22H,6-9H2,1H3,(H,24,27)
InChIKeyCNRIJLALIGNXOH-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.01
Rot. Bonds5

About 2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 25096001) has the molecular formula C20H20FN5O2S and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID25096001
Molecular FormulaC20H20FN5O2S
Molecular Weight413.48 g/mol
Exact Mass413.13
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c1
InChIInChI=1S/C20H20FN5O2S/c1-28-13-2-3-15(21)14(10-13)20-25-17(12-29-20)19(27)24-16-11-23-5-4-18(16)26-8-6-22-7-9-26/h2-5,10-12,22H,6-9H2,1H3,(H,24,27)
InChIKeyCNRIJLALIGNXOH-UHFFFAOYSA-N
XLogP3.01
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(7-methoxy-3-oxo-1,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24952335
2-[5-methoxy-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59503865
2-(1H-indazol-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71098127
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569538
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25095743
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-[4-[(3R)-3-methylpiperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 59332017
2-(3-oxopiperazin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24954454
N-[4-[(3S)-3-ethenylpiperazin-1-yl]-3-pyridinyl]-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1,3-thiazole-4-carboxamide
CID 143666132
2-[4-(4-methoxyphenyl)pyrazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569478
2-(6-methoxy-3-pyridinyl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569279
2-(1-hydroxy-6-methoxy-1,3-dihydroisoindol-2-yl)-N-[4-[(3S)-3-(hydroxymethyl)piperazin-1-yl]-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 143665950
tert-butyl N-[(3S)-1-[3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-4-pyridinyl]piperidin-3-yl]carbamate
CID 58182165

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 25096001) is 2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is COc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3N3CCNCC3)cs2)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CNRIJLALIGNXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2S/c1-28-13-2-3-15(21)14(10-13)20-25-17(12-29-20)19(27)24-16-11-23-5-4-18(16)26-8-6-22-7-9-26/h2-5,10-12,22H,6-9H2,1H3,(H,24,27).
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25096001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).