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

C14H23N3OS — CID 106975724

IUPACN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC(C)c2ncc(C)s2)CCCN1
InChIInChI=1S/C14H23N3OS/c1-4-6-14(7-5-8-16-14)13(18)17-11(3)12-15-9-10(2)19-12/h9,11,16H,4-8H2,1-3H3,(H,17,18)
InChIKeySPVYRRBMUMSAEC-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.55
Rot. Bonds5

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

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975724) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
PubChem CID106975724
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC(C)c2ncc(C)s2)CCCN1
InChIInChI=1S/C14H23N3OS/c1-4-6-14(7-5-8-16-14)13(18)17-11(3)12-15-9-10(2)19-12/h9,11,16H,4-8H2,1-3H3,(H,17,18)
InChIKeySPVYRRBMUMSAEC-UHFFFAOYSA-N
XLogP2.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide (CID 106975724) is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NC(C)c2ncc(C)s2)CCCN1.
What is the InChIKey of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is SPVYRRBMUMSAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-6-14(7-5-8-16-14)13(18)17-11(3)12-15-9-10(2)19-12/h9,11,16H,4-8H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide?
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).