2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide

C24H22FN5O3S — CID 46136381

IUPAC2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
SMILESO=C(CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2F)n1)NCc1ccccn1
InChIInChI=1S/C24H22FN5O3S/c25-19-8-1-2-9-20(19)28-24-29-21(16-34-24)23(32)30(15-18-7-5-13-33-18)12-10-22(31)27-14-17-6-3-4-11-26-17/h1-9,11,13,16H,10,12,14-15H2,(H,27,31)(H,28,29)
InChIKeyDEBBFYITUPPOBM-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.36
Rot. Bonds10

About 2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide

2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 46136381) has the molecular formula C24H22FN5O3S and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
PubChem CID46136381
Molecular FormulaC24H22FN5O3S
Molecular Weight479.54 g/mol
Exact Mass479.14
IUPAC Name2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
SMILESO=C(CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2F)n1)NCc1ccccn1
InChIInChI=1S/C24H22FN5O3S/c25-19-8-1-2-9-20(19)28-24-29-21(16-34-24)23(32)30(15-18-7-5-13-33-18)12-10-22(31)27-14-17-6-3-4-11-26-17/h1-9,11,13,16H,10,12,14-15H2,(H,27,31)(H,28,29)
InChIKeyDEBBFYITUPPOBM-UHFFFAOYSA-N
XLogP4.36
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-chloroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 46136585
N-benzyl-2-(2-chloroanilino)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46136575
N-benzyl-2-(2-methoxyanilino)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 46137372
2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46136486
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-[3-(2-methylpropylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 42814212
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113120169
3-[[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]propanoic acid
CID 42813689
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 42814213
N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947513
2-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 56724069
2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 83273966
2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 46388424

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide (CID 46136381) is 2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide is O=C(CCN(Cc1ccco1)C(=O)c1csc(Nc2ccccc2F)n1)NCc1ccccn1.
What is the InChIKey of 2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DEBBFYITUPPOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3S/c25-19-8-1-2-9-20(19)28-24-29-21(16-34-24)23(32)30(15-18-7-5-13-33-18)12-10-22(31)27-14-17-6-3-4-11-26-17/h1-9,11,13,16H,10,12,14-15H2,(H,27,31)(H,28,29).
What are the key properties of 2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide?
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 4.36, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46136381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).