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

C20H21N3O3S — CID 47868198

IUPACN-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCC(C)c1cccc(N(C)C(=O)Cc2csc(NC(=O)c3ccco3)n2)c1
InChIInChI=1S/C20H21N3O3S/c1-13(2)14-6-4-7-16(10-14)23(3)18(24)11-15-12-27-20(21-15)22-19(25)17-8-5-9-26-17/h4-10,12-13H,11H2,1-3H3,(H,21,22,25)
InChIKeyFZHDXSGUGBQHQL-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.32
Rot. Bonds6

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

N-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 47868198) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID47868198
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCC(C)c1cccc(N(C)C(=O)Cc2csc(NC(=O)c3ccco3)n2)c1
InChIInChI=1S/C20H21N3O3S/c1-13(2)14-6-4-7-16(10-14)23(3)18(24)11-15-12-27-20(21-15)22-19(25)17-8-5-9-26-17/h4-10,12-13H,11H2,1-3H3,(H,21,22,25)
InChIKeyFZHDXSGUGBQHQL-UHFFFAOYSA-N
XLogP4.32
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46483651
N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 40881647
N-[4-[2-(2-methoxy-N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 55888004
N-[4-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 51213959
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26927547
N-[4-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27886628
N-[4-[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17439699
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-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 25362530
N-[4-[2-oxo-2-[N-(thiophen-3-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 86878097
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-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 47868198) is N-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is CC(C)c1cccc(N(C)C(=O)Cc2csc(NC(=O)c3ccco3)n2)c1.
What is the InChIKey of N-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is FZHDXSGUGBQHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13(2)14-6-4-7-16(10-14)23(3)18(24)11-15-12-27-20(21-15)22-19(25)17-8-5-9-26-17/h4-10,12-13H,11H2,1-3H3,(H,21,22,25).
What are the key properties of N-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(N-methyl-3-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 47868198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).