N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide

C12H20N4OS — CID 91770106

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide
SMILESNc1nc(CCCNC(=O)CN2CCCC2)cs1
InChIInChI=1S/C12H20N4OS/c13-12-15-10(9-18-12)4-3-5-14-11(17)8-16-6-1-2-7-16/h9H,1-8H2,(H2,13,15)(H,14,17)
InChIKeySTZQMYCYQAHYPF-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.87
Rot. Bonds6

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 91770106) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide
PubChem CID91770106
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide
SMILESNc1nc(CCCNC(=O)CN2CCCC2)cs1
InChIInChI=1S/C12H20N4OS/c13-12-15-10(9-18-12)4-3-5-14-11(17)8-16-6-1-2-7-16/h9H,1-8H2,(H2,13,15)(H,14,17)
InChIKeySTZQMYCYQAHYPF-UHFFFAOYSA-N
XLogP0.87
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide (CID 91770106) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide is Nc1nc(CCCNC(=O)CN2CCCC2)cs1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is STZQMYCYQAHYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c13-12-15-10(9-18-12)4-3-5-14-11(17)8-16-6-1-2-7-16/h9H,1-8H2,(H2,13,15)(H,14,17).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 268.39 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 91770106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).