N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

C17H20FN3O2S — CID 56792058

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1csc(Cc2ccccc2F)n1
InChIInChI=1S/C17H20FN3O2S/c1-3-19-15(22)10-21(4-2)17(23)14-11-24-16(20-14)9-12-7-5-6-8-13(12)18/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyXQTOOLFCUQKFCF-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.47
Rot. Bonds7

About N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 56792058) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID56792058
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1csc(Cc2ccccc2F)n1
InChIInChI=1S/C17H20FN3O2S/c1-3-19-15(22)10-21(4-2)17(23)14-11-24-16(20-14)9-12-7-5-6-8-13(12)18/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyXQTOOLFCUQKFCF-UHFFFAOYSA-N
XLogP2.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 56792058) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is CCNC(=O)CN(CC)C(=O)c1csc(Cc2ccccc2F)n1.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XQTOOLFCUQKFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-3-19-15(22)10-21(4-2)17(23)14-11-24-16(20-14)9-12-7-5-6-8-13(12)18/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56792058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).