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

C21H17N3O3S — CID 42765515

IUPACN-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
SMILESCOc1cccc(Nc2nc(-c3ccc(NC(=O)c4ccco4)cc3)cs2)c1
InChIInChI=1S/C21H17N3O3S/c1-26-17-5-2-4-16(12-17)23-21-24-18(13-28-21)14-7-9-15(10-8-14)22-20(25)19-6-3-11-27-19/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyYVYUAOYJUISFSP-UHFFFAOYSA-N
MW391.45 g/mol
LogP5.41
Rot. Bonds6

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

N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide (PubChem CID 42765515) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
PubChem CID42765515
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
SMILESCOc1cccc(Nc2nc(-c3ccc(NC(=O)c4ccco4)cc3)cs2)c1
InChIInChI=1S/C21H17N3O3S/c1-26-17-5-2-4-16(12-17)23-21-24-18(13-28-21)14-7-9-15(10-8-14)22-20(25)19-6-3-11-27-19/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyYVYUAOYJUISFSP-UHFFFAOYSA-N
XLogP5.41
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.45
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
CID 5037390
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzamide
CID 3694257
N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18899862
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 17392556
N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide
CID 133370970
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
N-[4-[(3-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 780805
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 768029

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide (CID 42765515) is N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide is COc1cccc(Nc2nc(-c3ccc(NC(=O)c4ccco4)cc3)cs2)c1.
What is the InChIKey of N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide?
The InChIKey is YVYUAOYJUISFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-26-17-5-2-4-16(12-17)23-21-24-18(13-28-21)14-7-9-15(10-8-14)22-20(25)19-6-3-11-27-19/h2-13H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide?
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 42765515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).