N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide

C17H15N3O3S — CID 859497

IUPACN-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)c1nc(CC(=O)Nc2ccccc2)cs1
InChIInChI=1S/C17H15N3O3S/c1-20(16(22)14-8-5-9-23-14)17-19-13(11-24-17)10-15(21)18-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,21)
InChIKeyMLCOOKDZNXASLZ-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.19
Rot. Bonds5

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

N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide (PubChem CID 859497) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide
PubChem CID859497
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)c1nc(CC(=O)Nc2ccccc2)cs1
InChIInChI=1S/C17H15N3O3S/c1-20(16(22)14-8-5-9-23-14)17-19-13(11-24-17)10-15(21)18-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,21)
InChIKeyMLCOOKDZNXASLZ-UHFFFAOYSA-N
XLogP3.19
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide (CID 859497) is N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide is CN(C(=O)c1ccco1)c1nc(CC(=O)Nc2ccccc2)cs1.
What is the InChIKey of N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide?
The InChIKey is MLCOOKDZNXASLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-20(16(22)14-8-5-9-23-14)17-19-13(11-24-17)10-15(21)18-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,21).
What are the key properties of N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide?
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 859497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).