N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C15H23N3O2S — CID 70771582

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1nc(CCNC(=O)C2CC(=O)N(C(C)C)C2)sc1C
InChIInChI=1S/C15H23N3O2S/c1-9(2)18-8-12(7-14(18)19)15(20)16-6-5-13-17-10(3)11(4)21-13/h9,12H,5-8H2,1-4H3,(H,16,20)
InChIKeyVNWJREYPNXUOGB-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.68
Rot. Bonds5

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 70771582) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID70771582
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1nc(CCNC(=O)C2CC(=O)N(C(C)C)C2)sc1C
InChIInChI=1S/C15H23N3O2S/c1-9(2)18-8-12(7-14(18)19)15(20)16-6-5-13-17-10(3)11(4)21-13/h9,12H,5-8H2,1-4H3,(H,16,20)
InChIKeyVNWJREYPNXUOGB-UHFFFAOYSA-N
XLogP1.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 70771582) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1nc(CCNC(=O)C2CC(=O)N(C(C)C)C2)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is VNWJREYPNXUOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-9(2)18-8-12(7-14(18)19)15(20)16-6-5-13-17-10(3)11(4)21-13/h9,12H,5-8H2,1-4H3,(H,16,20).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 70771582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).