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

C13H15N3O3S — CID 17472757

IUPACN-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCCCNC(=O)Cc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C13H15N3O3S/c1-2-5-14-11(17)7-9-8-20-13(15-9)16-12(18)10-4-3-6-19-10/h3-4,6,8H,2,5,7H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyFYERVPCCRIQOLT-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.06
Rot. Bonds6

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

N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 17472757) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID17472757
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCCCNC(=O)Cc1csc(NC(=O)c2ccco2)n1
InChIInChI=1S/C13H15N3O3S/c1-2-5-14-11(17)7-9-8-20-13(15-9)16-12(18)10-4-3-6-19-10/h3-4,6,8H,2,5,7H2,1H3,(H,14,17)(H,15,16,18)
InChIKeyFYERVPCCRIQOLT-UHFFFAOYSA-N
XLogP2.06
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27256446
N-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26927396
N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40881647
N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 18194371
N-[4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17439699
N-[4-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17416159
N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27538589
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-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-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 17472757) is N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is CCCNC(=O)Cc1csc(NC(=O)c2ccco2)n1.
What is the InChIKey of N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is FYERVPCCRIQOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-2-5-14-11(17)7-9-8-20-13(15-9)16-12(18)10-4-3-6-19-10/h3-4,6,8H,2,5,7H2,1H3,(H,14,17)(H,15,16,18).
What are the key properties of N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 2.06, 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-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 17472757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).