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

C20H20FN3O2S2 — CID 27821835

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1sc(-c2ccsc2)nc1C
InChIInChI=1S/C20H20FN3O2S2/c1-3-24(11-17(25)22-10-14-4-6-16(21)7-5-14)20(26)18-13(2)23-19(28-18)15-8-9-27-12-15/h4-9,12H,3,10-11H2,1-2H3,(H,22,25)
InChIKeySAARHEVQUKRGHH-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.10
Rot. Bonds7

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

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 27821835) 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-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID27821835
Molecular FormulaC20H20FN3O2S2
Molecular Weight417.53 g/mol
Exact Mass417.10
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1sc(-c2ccsc2)nc1C
InChIInChI=1S/C20H20FN3O2S2/c1-3-24(11-17(25)22-10-14-4-6-16(21)7-5-14)20(26)18-13(2)23-19(28-18)15-8-9-27-12-15/h4-9,12H,3,10-11H2,1-2H3,(H,22,25)
InChIKeySAARHEVQUKRGHH-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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Related Compounds

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 60598880
N-ethyl-4-methyl-N-(2-phenylethyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 55587242
methyl 2-[(4-chlorophenyl)methyl-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]acetate
CID 55802629
4-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8533303
4-methyl-2-thiophen-3-yl-N,N-bis(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 31839852
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
N,5-diethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 18079934
N-ethyl-2-(4-ethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46563245
2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 60832046
2-(2-aminoethyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617230
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55514772
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 18113075

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 27821835) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-3-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-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1sc(-c2ccsc2)nc1C.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is SAARHEVQUKRGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S2/c1-3-24(11-17(25)22-10-14-4-6-16(21)7-5-14)20(26)18-13(2)23-19(28-18)15-8-9-27-12-15/h4-9,12H,3,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-2-thiophen-3-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-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 27821835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).