N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C18H17N3O3S — CID 40881647

IUPACN-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccccc1
InChIInChI=1S/C18H17N3O3S/c1-12(13-6-3-2-4-7-13)19-16(22)10-14-11-25-18(20-14)21-17(23)15-8-5-9-24-15/h2-9,11-12H,10H2,1H3,(H,19,22)(H,20,21,23)/t12-/m1/s1
InChIKeyQUVPPZAKCVERLG-GFCCVEGCSA-N
MW355.42 g/mol
LogP3.41
Rot. Bonds6

About N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 40881647) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID40881647
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccccc1
InChIInChI=1S/C18H17N3O3S/c1-12(13-6-3-2-4-7-13)19-16(22)10-14-11-25-18(20-14)21-17(23)15-8-5-9-24-15/h2-9,11-12H,10H2,1H3,(H,19,22)(H,20,21,23)/t12-/m1/s1
InChIKeyQUVPPZAKCVERLG-GFCCVEGCSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 51213959
N-[4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 25362530
N-[4-[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40917855
N-[4-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55583343
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 41230385
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
N-[4-[2-[2-(methylcarbamoyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 34755088
N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 86913773
N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55740158
3,5-dimethoxy-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18568059

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 40881647) is N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is C[C@@H](NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccccc1.
What is the InChIKey of N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is QUVPPZAKCVERLG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-12(13-6-3-2-4-7-13)19-16(22)10-14-11-25-18(20-14)21-17(23)15-8-5-9-24-15/h2-9,11-12H,10H2,1H3,(H,19,22)(H,20,21,23)/t12-/m1/s1.
What are the key properties of N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 40881647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).