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

C19H19N3O5S — CID 46488414

IUPACN-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1OC
InChIInChI=1S/C19H19N3O5S/c1-11-14(6-7-27-11)18(24)22-19-21-13(10-28-19)9-17(23)20-12-4-5-15(25-2)16(8-12)26-3/h4-8,10H,9H2,1-3H3,(H,20,23)(H,21,22,24)
InChIKeyVSSGSNITSASXRD-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.50
Rot. Bonds7

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

N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 46488414) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
PubChem CID46488414
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCOc1ccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1OC
InChIInChI=1S/C19H19N3O5S/c1-11-14(6-7-27-11)18(24)22-19-21-13(10-28-19)9-17(23)20-12-4-5-15(25-2)16(8-12)26-3/h4-8,10H,9H2,1-3H3,(H,20,23)(H,21,22,24)
InChIKeyVSSGSNITSASXRD-UHFFFAOYSA-N
XLogP3.50
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-(5-cyano-2-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 49181620
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
N-[4-[2-[(3-methoxy-4-propoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55760737
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-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55760541
N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761426
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18567592
2-methyl-N-[4-[2-(4-methyl-2-propoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 55901595
N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568020
N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55706929
2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 55760523

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 46488414) is N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is COc1ccc(NC(=O)Cc2csc(NC(=O)c3ccoc3C)n2)cc1OC.
What is the InChIKey of N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is VSSGSNITSASXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-11-14(6-7-27-11)18(24)22-19-21-13(10-28-19)9-17(23)20-12-4-5-15(25-2)16(8-12)26-3/h4-8,10H,9H2,1-3H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 46488414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).