N-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide

C24H24FN5O3S — CID 91501146

IUPACN-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc2cn(-c3nc(C(=O)Nc4cccc(F)c4N4CCC(N)CC4)cs3)c(O)c2c1
InChIInChI=1S/C24H24FN5O3S/c1-33-16-6-5-14-12-30(23(32)17(14)11-16)24-28-20(13-34-24)22(31)27-19-4-2-3-18(25)21(19)29-9-7-15(26)8-10-29/h2-6,11-13,15,32H,7-10,26H2,1H3,(H,27,31)
InChIKeyQONJKJNOGXTHNR-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.12
Rot. Bonds5

About N-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide

N-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 91501146) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID91501146
Molecular FormulaC24H24FN5O3S
Molecular Weight481.55 g/mol
Exact Mass481.16
IUPAC NameN-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc2cn(-c3nc(C(=O)Nc4cccc(F)c4N4CCC(N)CC4)cs3)c(O)c2c1
InChIInChI=1S/C24H24FN5O3S/c1-33-16-6-5-14-12-30(23(32)17(14)11-16)24-28-20(13-34-24)22(31)27-19-4-2-3-18(25)21(19)29-9-7-15(26)8-10-29/h2-6,11-13,15,32H,7-10,26H2,1H3,(H,27,31)
InChIKeyQONJKJNOGXTHNR-UHFFFAOYSA-N
XLogP4.12
TPSA105.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(6-Methoxy-1-Oxo-1,3-Dihydro-2h-Isoindol-2-Yl)-N-[4-(Piperazin-1-Yl)pyridin-3-Yl]-1,3-Thiazole-4-Carboxamide
CID 24951610
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(6-methyl-4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59332270
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-ylquinolin-3-yl)-1,3-thiazole-4-carboxamide
CID 59331996
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-4-ium-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 78225445
6-(3-methoxyphenyl)-N-(pyridin-4-yl)imidazo[2,1-b]thiazole-3-carboxamide
CID 42270089
(4-(4-Fluorophenyl)piperazin-1-yl)(6-(3-methoxyphenyl)imidazo[2,1-b]thiazol-3-yl)methanone
CID 42270073
2-(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 24953752
N-[2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-8-yl]-1,3-thiazole-4-carboxamide
CID 58208456
N-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1,3-thiazole-4-carboxamide
CID 59332483
2-(4-fluoro-5-hydroxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71053486
Tert-butyl 4-[4-fluoro-2-[[2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]azepane-1-carboxylate
CID 90817042
4-(7-fluoro-1-hydroxy-6-methoxyisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide
CID 90821697

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide (CID 91501146) is N-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide is COc1ccc2cn(-c3nc(C(=O)Nc4cccc(F)c4N4CCC(N)CC4)cs3)c(O)c2c1.
What is the InChIKey of N-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is QONJKJNOGXTHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c1-33-16-6-5-14-12-30(23(32)17(14)11-16)24-28-20(13-34-24)22(31)27-19-4-2-3-18(25)21(19)29-9-7-15(26)8-10-29/h2-6,11-13,15,32H,7-10,26H2,1H3,(H,27,31).
What are the key properties of N-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide?
N-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopiperidin-1-yl)-3-fluorophenyl]-2-(1-hydroxy-6-methoxyisoindol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91501146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).