2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide

C19H16N4O4S2 — CID 45497728

IUPAC2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3nc(-c4ccco4)cs3)cs2)cc1OC
InChIInChI=1S/C19H16N4O4S2/c1-25-15-6-5-11(8-16(15)26-2)20-18-22-13(10-29-18)17(24)23-19-21-12(9-28-19)14-4-3-7-27-14/h3-10H,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyHULLRKKZRPQSAX-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.87
Rot. Bonds7

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

2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 45497728) has the molecular formula C19H16N4O4S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID45497728
Molecular FormulaC19H16N4O4S2
Molecular Weight428.50 g/mol
Exact Mass428.06
IUPAC Name2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3nc(-c4ccco4)cs3)cs2)cc1OC
InChIInChI=1S/C19H16N4O4S2/c1-25-15-6-5-11(8-16(15)26-2)20-18-22-13(10-29-18)17(24)23-19-21-12(9-28-19)14-4-3-7-27-14/h3-10H,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyHULLRKKZRPQSAX-UHFFFAOYSA-N
XLogP4.87
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2998894
N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 11958450
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 11958525
N-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 11958820
N-[5-[2-(m-anisidino)thiazol-4-yl]-4-methyl-thiazol-2-yl]-2-furamide
CID 11958821
N-[[5-[2-[[N'-[2-(2-methoxyphenoxy)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10502711
2-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazol-4-yl)-N-(4-(furan-2-yl)thiazol-2-yl)acetamide
CID 49677924
2-(benzo[d]thiazol-2-yl(methyl)amino)-N-(4-(furan-2-yl)thiazol-2-yl)acetamide
CID 56765746
2-{2-[1-(3,4-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-thiazole-4-carboxylic acid ethyl ester
CID 3189459
4-(furan-2-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 122183960
N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 7110091
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16252853

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide (CID 45497728) is 2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)Nc3nc(-c4ccco4)cs3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is HULLRKKZRPQSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S2/c1-25-15-6-5-11(8-16(15)26-2)20-18-22-13(10-29-18)17(24)23-19-21-12(9-28-19)14-4-3-7-27-14/h3-10H,1-2H3,(H,20,22)(H,21,23,24).
What are the key properties of 2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45497728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).