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

C20H18N4O3S2 — CID 11958450

IUPACN-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCCOc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1
InChIInChI=1S/C20H18N4O3S2/c1-3-26-15-8-5-4-7-13(15)22-19-23-14(11-28-19)17-12(2)21-20(29-17)24-18(25)16-9-6-10-27-16/h4-11H,3H2,1-2H3,(H,22,23)(H,21,24,25)
InChIKeyZVDYTMSIBHJYLK-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.56
Rot. Bonds7

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

N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 11958450) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID11958450
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC NameN-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCCOc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1
InChIInChI=1S/C20H18N4O3S2/c1-3-26-15-8-5-4-7-13(15)22-19-23-14(11-28-19)17-12(2)21-20(29-17)24-18(25)16-9-6-10-27-16/h4-11H,3H2,1-2H3,(H,22,23)(H,21,24,25)
InChIKeyZVDYTMSIBHJYLK-UHFFFAOYSA-N
XLogP5.56
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide (CID 11958450) is N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide is CCOc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1.
What is the InChIKey of N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is ZVDYTMSIBHJYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-3-26-15-8-5-4-7-13(15)22-19-23-14(11-28-19)17-12(2)21-20(29-17)24-18(25)16-9-6-10-27-16/h4-11H,3H2,1-2H3,(H,22,23)(H,21,24,25).
What are the key properties of N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-ethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 11958450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).