1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

C24H25N3O2S — CID 75554490

IUPAC1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1C(=O)N1CCCC1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C24H25N3O2S/c1-17-8-5-6-11-20(17)24(29)27-15-7-12-21(27)22(28)25-14-13-19-16-30-23(26-19)18-9-3-2-4-10-18/h2-6,8-11,16,21H,7,12-15H2,1H3,(H,25,28)
InChIKeyJXIZHKPUAXVVMF-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.08
Rot. Bonds6

About 1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 75554490) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID75554490
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1C(=O)N1CCCC1C(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C24H25N3O2S/c1-17-8-5-6-11-20(17)24(29)27-15-7-12-21(27)22(28)25-14-13-19-16-30-23(26-19)18-9-3-2-4-10-18/h2-6,8-11,16,21H,7,12-15H2,1H3,(H,25,28)
InChIKeyJXIZHKPUAXVVMF-UHFFFAOYSA-N
XLogP4.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (CID 75554490) is 1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is Cc1ccccc1C(=O)N1CCCC1C(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is JXIZHKPUAXVVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-17-8-5-6-11-20(17)24(29)27-15-7-12-21(27)22(28)25-14-13-19-16-30-23(26-19)18-9-3-2-4-10-18/h2-6,8-11,16,21H,7,12-15H2,1H3,(H,25,28).
What are the key properties of 1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 419.55 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75554490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).