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

C20H19F2N3O4S — CID 46440873

IUPACN-[4-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCCC(NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccccc1OC(F)F
InChIInChI=1S/C20H19F2N3O4S/c1-2-14(13-6-3-4-7-15(13)29-19(21)22)24-17(26)10-12-11-30-20(23-12)25-18(27)16-8-5-9-28-16/h3-9,11,14,19H,2,10H2,1H3,(H,24,26)(H,23,25,27)
InChIKeyCBLLAJMUBSIRSC-UHFFFAOYSA-N
MW435.45 g/mol
LogP4.40
Rot. Bonds9

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

N-[4-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 46440873) has the molecular formula C20H19F2N3O4S and a molecular weight of 435.45 g/mol. Its IUPAC name is N-[4-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID46440873
Molecular FormulaC20H19F2N3O4S
Molecular Weight435.45 g/mol
Exact Mass435.11
IUPAC NameN-[4-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCCC(NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccccc1OC(F)F
InChIInChI=1S/C20H19F2N3O4S/c1-2-14(13-6-3-4-7-15(13)29-19(21)22)24-17(26)10-12-11-30-20(23-12)25-18(27)16-8-5-9-28-16/h3-9,11,14,19H,2,10H2,1H3,(H,24,26)(H,23,25,27)
InChIKeyCBLLAJMUBSIRSC-UHFFFAOYSA-N
XLogP4.40
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55901042
N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40881647
N-[4-[2-oxo-2-(propylamino)ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17472757
N-[4-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 51213959
N-[4-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55583343
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
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-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
N-[4-[2-[[3-(2-fluoroethoxy)-2-pyridinyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 166319588
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-oxo-2-[2-[2-(trifluoromethyl)phenoxy]ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 86896401
N-[4-[2-(3-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27256446

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 46440873) is N-[4-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is CCC(NC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1ccccc1OC(F)F.
What is the InChIKey of N-[4-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is CBLLAJMUBSIRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O4S/c1-2-14(13-6-3-4-7-15(13)29-19(21)22)24-17(26)10-12-11-30-20(23-12)25-18(27)16-8-5-9-28-16/h3-9,11,14,19H,2,10H2,1H3,(H,24,26)(H,23,25,27).
What are the key properties of N-[4-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 435.45 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46440873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).