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

C16H19N3OS — CID 118524336

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)N1CCCC1
InChIInChI=1S/C16H19N3OS/c20-16(19-10-4-5-11-19)17-9-8-14-12-21-15(18-14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,17,20)
InChIKeyKSISNHOTUHPAKB-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.16
Rot. Bonds4

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

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 118524336) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID118524336
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)N1CCCC1
InChIInChI=1S/C16H19N3OS/c20-16(19-10-4-5-11-19)17-9-8-14-12-21-15(18-14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,17,20)
InChIKeyKSISNHOTUHPAKB-UHFFFAOYSA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide (CID 118524336) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)N1CCCC1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is KSISNHOTUHPAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-16(19-10-4-5-11-19)17-9-8-14-12-21-15(18-14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,17,20).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 118524336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).