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

C15H26N4OS — CID 119039277

IUPACN-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(C)c2sc(CC)nc2C)C1
InChIInChI=1S/C15H26N4OS/c1-5-13-18-11(4)14(21-13)10(3)17-12-7-8-19(9-12)15(20)16-6-2/h10,12,17H,5-9H2,1-4H3,(H,16,20)
InChIKeyGQYDGXYFEXMGRJ-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.47
Rot. Bonds5

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

N-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide (PubChem CID 119039277) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide
PubChem CID119039277
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(C)c2sc(CC)nc2C)C1
InChIInChI=1S/C15H26N4OS/c1-5-13-18-11(4)14(21-13)10(3)17-12-7-8-19(9-12)15(20)16-6-2/h10,12,17H,5-9H2,1-4H3,(H,16,20)
InChIKeyGQYDGXYFEXMGRJ-UHFFFAOYSA-N
XLogP2.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide (CID 119039277) is N-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NC(C)c2sc(CC)nc2C)C1.
What is the InChIKey of N-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide?
The InChIKey is GQYDGXYFEXMGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-5-13-18-11(4)14(21-13)10(3)17-12-7-8-19(9-12)15(20)16-6-2/h10,12,17H,5-9H2,1-4H3,(H,16,20).
What are the key properties of N-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide?
N-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 119039277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).