1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C18H20ClN3O2S — CID 47872947

IUPAC1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nc(CN(C)C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cs1
InChIInChI=1S/C18H20ClN3O2S/c1-3-16-20-14(11-25-16)10-21(2)18(24)12-8-17(23)22(9-12)15-6-4-13(19)5-7-15/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyHNQDNCYARZXWJG-UHFFFAOYSA-N
MW377.90 g/mol
LogP3.37
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 47872947) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID47872947
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nc(CN(C)C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cs1
InChIInChI=1S/C18H20ClN3O2S/c1-3-16-20-14(11-25-16)10-21(2)18(24)12-8-17(23)22(9-12)15-6-4-13(19)5-7-15/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyHNQDNCYARZXWJG-UHFFFAOYSA-N
XLogP3.37
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 47872947) is 1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CCc1nc(CN(C)C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cs1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HNQDNCYARZXWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-3-16-20-14(11-25-16)10-21(2)18(24)12-8-17(23)22(9-12)15-6-4-13(19)5-7-15/h4-7,11-12H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 377.90 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47872947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).