N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C17H17F2N3O2S — CID 138058437

IUPACN-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)CC1=O
InChIInChI=1S/C17H17F2N3O2S/c1-2-22-9-10(6-15(22)23)16(24)21-17-20-8-11(25-17)7-12-13(18)4-3-5-14(12)19/h3-5,8,10H,2,6-7,9H2,1H3,(H,20,21,24)
InChIKeyZTZRDQVYPTYGHO-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.82
Rot. Bonds5

About N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 138058437) has the molecular formula C17H17F2N3O2S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID138058437
Molecular FormulaC17H17F2N3O2S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC NameN-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)CC1=O
InChIInChI=1S/C17H17F2N3O2S/c1-2-22-9-10(6-15(22)23)16(24)21-17-20-8-11(25-17)7-12-13(18)4-3-5-14(12)19/h3-5,8,10H,2,6-7,9H2,1H3,(H,20,21,24)
InChIKeyZTZRDQVYPTYGHO-UHFFFAOYSA-N
XLogP2.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 51595150
(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 94092655
N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole-4-carboxamide
CID 166244981
(3S)-1-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95298412
3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea
CID 167327101
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286796
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55495860
1-(2-methoxyethyl)-N-(5-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 47162136
(3R)-1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468818
1-ethyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 61393728
1-(1,1-dioxothiolan-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 43066354
(3S)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 95243359

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 138058437) is N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)Nc2ncc(Cc3c(F)cccc3F)s2)CC1=O.
What is the InChIKey of N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZTZRDQVYPTYGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2S/c1-2-22-9-10(6-15(22)23)16(24)21-17-20-8-11(25-17)7-12-13(18)4-3-5-14(12)19/h3-5,8,10H,2,6-7,9H2,1H3,(H,20,21,24).
What are the key properties of N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 138058437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).