N-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide

C10H15N3OS — CID 122156879

IUPACN-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1(c2nc(C)cs2)CCNC1
InChIInChI=1S/C10H15N3OS/c1-7-5-15-9(12-7)10(13-8(2)14)3-4-11-6-10/h5,11H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyIYNRYBSSNPTTIG-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.78
Rot. Bonds2

About N-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide

N-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 122156879) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID122156879
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1(c2nc(C)cs2)CCNC1
InChIInChI=1S/C10H15N3OS/c1-7-5-15-9(12-7)10(13-8(2)14)3-4-11-6-10/h5,11H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyIYNRYBSSNPTTIG-UHFFFAOYSA-N
XLogP0.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide (CID 122156879) is N-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide is CC(=O)NC1(c2nc(C)cs2)CCNC1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is IYNRYBSSNPTTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-5-15-9(12-7)10(13-8(2)14)3-4-11-6-10/h5,11H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide?
N-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 225.32 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 122156879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).