2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

C21H19N5O3S — CID 55760523

IUPAC2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)Nc2cccc(Cn3cccn3)c2)cs1
InChIInChI=1S/C21H19N5O3S/c1-14-18(6-9-29-14)20(28)25-21-24-17(13-30-21)11-19(27)23-16-5-2-4-15(10-16)12-26-8-3-7-22-26/h2-10,13H,11-12H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyLZIIIJCUFOLUTE-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.72
Rot. Bonds7

About 2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide

2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (PubChem CID 55760523) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
PubChem CID55760523
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)Nc2cccc(Cn3cccn3)c2)cs1
InChIInChI=1S/C21H19N5O3S/c1-14-18(6-9-29-14)20(28)25-21-24-17(13-30-21)11-19(27)23-16-5-2-4-15(10-16)12-26-8-3-7-22-26/h2-10,13H,11-12H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyLZIIIJCUFOLUTE-UHFFFAOYSA-N
XLogP3.72
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[4-[2-oxo-2-(2-pyrazol-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 55764054
N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55894433
N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488414
N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761426
N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27256446
ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 46492925
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46424002
N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55760541
N-[4-[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 95786320
2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 71922145
N-[4-[2-[1-(3-chlorophenyl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761215
N-[4-[2-(3-chloro-2,6-diethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 51117112

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide (CID 55760523) is 2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cccc(Cn3cccn3)c2)cs1.
What is the InChIKey of 2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
The InChIKey is LZIIIJCUFOLUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-14-18(6-9-29-14)20(28)25-21-24-17(13-30-21)11-19(27)23-16-5-2-4-15(10-16)12-26-8-3-7-22-26/h2-10,13H,11-12H2,1H3,(H,23,27)(H,24,25,28).
What are the key properties of 2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide?
2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide is sourced from PubChem (CID 55760523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).