N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C18H17N3O3S — CID 27256446

IUPACN-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCCc1cccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c1
InChIInChI=1S/C18H17N3O3S/c1-2-12-5-3-6-13(9-12)19-16(22)10-14-11-25-18(20-14)21-17(23)15-7-4-8-24-15/h3-9,11H,2,10H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyQZNXNOWCVMUPQA-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.73
Rot. Bonds6

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

N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 27256446) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID27256446
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCCc1cccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c1
InChIInChI=1S/C18H17N3O3S/c1-2-12-5-3-6-13(9-12)19-16(22)10-14-11-25-18(20-14)21-17(23)15-7-4-8-24-15/h3-9,11H,2,10H2,1H3,(H,19,22)(H,20,21,23)
InChIKeyQZNXNOWCVMUPQA-UHFFFAOYSA-N
XLogP3.73
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 18194371
N-[4-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55814000
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757
N-[4-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42466898
N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17449851
N-[4-[2-[4-(3-fluorophenoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55908856
N-[4-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55374245
N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40881647
N-[4-[2-[2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 34755088
N-[4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 25362530

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 27256446) is N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is CCc1cccc(NC(=O)Cc2csc(NC(=O)c3ccco3)n2)c1.
What is the InChIKey of N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is QZNXNOWCVMUPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-2-12-5-3-6-13(9-12)19-16(22)10-14-11-25-18(20-14)21-17(23)15-7-4-8-24-15/h3-9,11H,2,10H2,1H3,(H,19,22)(H,20,21,23).
What are the key properties of N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 27256446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).