N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C20H20FN3O2S2 — CID 60598880

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C20H20FN3O2S2/c1-3-24(12-17(25)22-11-14-6-8-15(21)9-7-14)20(26)18-13(2)23-19(28-18)16-5-4-10-27-16/h4-10H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyDUCHQZKIBCXFJY-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.10
Rot. Bonds7

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 60598880) has the molecular formula C20H20FN3O2S2 and a molecular weight of 417.53 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID60598880
Molecular FormulaC20H20FN3O2S2
Molecular Weight417.53 g/mol
Exact Mass417.10
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1sc(-c2cccs2)nc1C
InChIInChI=1S/C20H20FN3O2S2/c1-3-24(12-17(25)22-11-14-6-8-15(21)9-7-14)20(26)18-13(2)23-19(28-18)16-5-4-10-27-16/h4-10H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyDUCHQZKIBCXFJY-UHFFFAOYSA-N
XLogP4.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 60598880) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1sc(-c2cccs2)nc1C.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DUCHQZKIBCXFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S2/c1-3-24(12-17(25)22-11-14-6-8-15(21)9-7-14)20(26)18-13(2)23-19(28-18)16-5-4-10-27-16/h4-10H,3,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 60598880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).