N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide

C13H21N3OS — CID 54960004

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)(C)c1csc(NC(=O)CC2CCCN2)n1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)10-8-18-12(15-10)16-11(17)7-9-5-4-6-14-9/h8-9,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyZKOKWOKKLLULGR-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.52
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 54960004) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID54960004
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
SMILESCC(C)(C)c1csc(NC(=O)CC2CCCN2)n1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)10-8-18-12(15-10)16-11(17)7-9-5-4-6-14-9/h8-9,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyZKOKWOKKLLULGR-UHFFFAOYSA-N
XLogP2.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide (CID 54960004) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide is CC(C)(C)c1csc(NC(=O)CC2CCCN2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is ZKOKWOKKLLULGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-13(2,3)10-8-18-12(15-10)16-11(17)7-9-5-4-6-14-9/h8-9,14H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 267.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 54960004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).