N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C19H16N4O4S — CID 49181620

IUPACN-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(C#N)cc1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1
InChIInChI=1S/C19H16N4O4S/c1-11-14(5-6-27-11)18(25)23-19-21-13(10-28-19)8-17(24)22-15-7-12(9-20)3-4-16(15)26-2/h3-7,10H,8H2,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyXXKCKPZCLHLEKG-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.36
Rot. Bonds6

About N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 49181620) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
PubChem CID49181620
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC NameN-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(C#N)cc1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1
InChIInChI=1S/C19H16N4O4S/c1-11-14(5-6-27-11)18(25)23-19-21-13(10-28-19)8-17(24)22-15-7-12(9-20)3-4-16(15)26-2/h3-7,10H,8H2,1-2H3,(H,22,24)(H,21,23,25)
InChIKeyXXKCKPZCLHLEKG-UHFFFAOYSA-N
XLogP3.36
TPSA117.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488414
N-[4-[2-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55792061
N-[4-[2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 51955751
2-methyl-N-[4-[2-(4-methyl-2-propoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 55901595
N-(5-cyano-2-methoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 49182333
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
N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55760737
N-[4-[2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55840806
2-methyl-N-[4-[2-[3-(methylamino)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide;dihydrochloride
CID 119432117
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-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55760541
N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 119477021

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 49181620) is N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is COc1ccc(C#N)cc1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1.
What is the InChIKey of N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is XXKCKPZCLHLEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-11-14(5-6-27-11)18(25)23-19-21-13(10-28-19)8-17(24)22-15-7-12(9-20)3-4-16(15)26-2/h3-7,10H,8H2,1-2H3,(H,22,24)(H,21,23,25).
What are the key properties of N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 49181620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).