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

C17H22FN3OS2 — CID 128968473

IUPACN-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)cs1
InChIInChI=1S/C17H22FN3OS2/c1-12-19-14(11-24-12)7-17(22)20(2)9-15-6-13(18)8-21(15)10-16-4-3-5-23-16/h3-5,11,13,15H,6-10H2,1-2H3/t13-,15-/m0/s1
InChIKeyHHZQYHPDRZQLEF-ZFWWWQNUSA-N
MW367.52 g/mol
LogP3.13
Rot. Bonds6

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

N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 128968473) has the molecular formula C17H22FN3OS2 and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID128968473
Molecular FormulaC17H22FN3OS2
Molecular Weight367.52 g/mol
Exact Mass367.12
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)cs1
InChIInChI=1S/C17H22FN3OS2/c1-12-19-14(11-24-12)7-17(22)20(2)9-15-6-13(18)8-21(15)10-16-4-3-5-23-16/h3-5,11,13,15H,6-10H2,1-2H3/t13-,15-/m0/s1
InChIKeyHHZQYHPDRZQLEF-ZFWWWQNUSA-N
XLogP3.13
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-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 N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 128968473) is N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N(C)C[C@@H]2C[C@H](F)CN2Cc2cccs2)cs1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is HHZQYHPDRZQLEF-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H22FN3OS2/c1-12-19-14(11-24-12)7-17(22)20(2)9-15-6-13(18)8-21(15)10-16-4-3-5-23-16/h3-5,11,13,15H,6-10H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 367.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 128968473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).