N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C19H19N3O4S — CID 24660945

IUPACN-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NCCNC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C19H19N3O4S/c1-12-16(27-19(22-12)13-5-7-14(25-2)8-6-13)18(24)21-10-9-20-17(23)15-4-3-11-26-15/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLQMHYVFJUPJSBG-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.88
Rot. Bonds7

About N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24660945) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24660945
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NCCNC(=O)c3ccco3)s2)cc1
InChIInChI=1S/C19H19N3O4S/c1-12-16(27-19(22-12)13-5-7-14(25-2)8-6-13)18(24)21-10-9-20-17(23)15-4-3-11-26-15/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyLQMHYVFJUPJSBG-UHFFFAOYSA-N
XLogP2.88
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24683000
2-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 9456699
2-(4-methoxyphenyl)-4-methyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 22830449
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485
2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16562673
N-[2-(furan-2-carbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084222
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824755
2-(4-methoxyphenyl)-4-methyl-N-phenylmethoxy-1,3-thiazole-5-carboxamide
CID 18139180
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
2-(4-methoxyphenyl)-4-methyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 30540770
2-(4-methoxyphenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 24554275

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 24660945) is N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)NCCNC(=O)c3ccco3)s2)cc1.
What is the InChIKey of N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LQMHYVFJUPJSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-16(27-19(22-12)13-5-7-14(25-2)8-6-13)18(24)21-10-9-20-17(23)15-4-3-11-26-15/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24660945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).