N-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide

C24H18N4O5S2 — CID 11958820

IUPACN-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCOc1cccc(N(C(=O)c2ccco2)c2nc(-c3sc(NC(=O)c4ccco4)nc3C)cs2)c1
InChIInChI=1S/C24H18N4O5S2/c1-14-20(35-23(25-14)27-21(29)18-8-4-10-32-18)17-13-34-24(26-17)28(22(30)19-9-5-11-33-19)15-6-3-7-16(12-15)31-2/h3-13H,1-2H3,(H,25,27,29)
InChIKeyXXFSKUJCODMHKE-UHFFFAOYSA-N
MW506.57 g/mol
LogP6.00
Rot. Bonds7

About N-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide

N-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 11958820) has the molecular formula C24H18N4O5S2 and a molecular weight of 506.57 g/mol. Its IUPAC name is N-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID11958820
Molecular FormulaC24H18N4O5S2
Molecular Weight506.57 g/mol
Exact Mass506.07
IUPAC NameN-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCOc1cccc(N(C(=O)c2ccco2)c2nc(-c3sc(NC(=O)c4ccco4)nc3C)cs2)c1
InChIInChI=1S/C24H18N4O5S2/c1-14-20(35-23(25-14)27-21(29)18-8-4-10-32-18)17-13-34-24(26-17)28(22(30)19-9-5-11-33-19)15-6-3-7-16(12-15)31-2/h3-13H,1-2H3,(H,25,27,29)
InChIKeyXXFSKUJCODMHKE-UHFFFAOYSA-N
XLogP6.00
TPSA110.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.57
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 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) is N-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide is COc1cccc(N(C(=O)c2ccco2)c2nc(-c3sc(NC(=O)c4ccco4)nc3C)cs2)c1.
What is the InChIKey of N-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is XXFSKUJCODMHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O5S2/c1-14-20(35-23(25-14)27-21(29)18-8-4-10-32-18)17-13-34-24(26-17)28(22(30)19-9-5-11-33-19)15-6-3-7-16(12-15)31-2/h3-13H,1-2H3,(H,25,27,29).
What are the key properties of N-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 506.57 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[N-(furan-2-carbonyl)-3-methoxyanilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 11958820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).