2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide

C12H19N3O2S — CID 91660071

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
SMILESCO[C@H]1CNCC1NC(=O)Cc1nc(C)sc1C
InChIInChI=1S/C12H19N3O2S/c1-7-9(14-8(2)18-7)4-12(16)15-10-5-13-6-11(10)17-3/h10-11,13H,4-6H2,1-3H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyDVGDUIBNRSWTRP-DTIOYNMSSA-N
MW269.37 g/mol
LogP0.41
Rot. Bonds4

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide (PubChem CID 91660071) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
PubChem CID91660071
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide
SMILESCO[C@H]1CNCC1NC(=O)Cc1nc(C)sc1C
InChIInChI=1S/C12H19N3O2S/c1-7-9(14-8(2)18-7)4-12(16)15-10-5-13-6-11(10)17-3/h10-11,13H,4-6H2,1-3H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyDVGDUIBNRSWTRP-DTIOYNMSSA-N
XLogP0.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide (CID 91660071) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide is CO[C@H]1CNCC1NC(=O)Cc1nc(C)sc1C.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide?
The InChIKey is DVGDUIBNRSWTRP-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7-9(14-8(2)18-7)4-12(16)15-10-5-13-6-11(10)17-3/h10-11,13H,4-6H2,1-3H3,(H,15,16)/t10?,11-/m0/s1.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide has a molecular weight of 269.37 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]acetamide is sourced from PubChem (CID 91660071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).