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

C15H18FN3OS2 — CID 128974460

IUPACN-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)c1cscn1
InChIInChI=1S/C15H18FN3OS2/c1-18(15(20)14-9-21-10-17-14)7-12-5-11(16)6-19(12)8-13-3-2-4-22-13/h2-4,9-12H,5-8H2,1H3/t11-,12-/m0/s1
InChIKeyGXJYKFYBERZLMD-RYUDHWBXSA-N
MW339.46 g/mol
LogP2.89
Rot. Bonds5

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

N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 128974460) has the molecular formula C15H18FN3OS2 and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID128974460
Molecular FormulaC15H18FN3OS2
Molecular Weight339.46 g/mol
Exact Mass339.09
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)c1cscn1
InChIInChI=1S/C15H18FN3OS2/c1-18(15(20)14-9-21-10-17-14)7-12-5-11(16)6-19(12)8-13-3-2-4-22-13/h2-4,9-12H,5-8H2,1H3/t11-,12-/m0/s1
InChIKeyGXJYKFYBERZLMD-RYUDHWBXSA-N
XLogP2.89
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 1473850
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24473064
N-(2-amino-2-oxoethyl)-N-butyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 40163347
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 42920002
4-({5-[1-(1,3-Thiazol-4-ylcarbonyl)-2-pyrrolidinyl]-2-thienyl}carbonyl)thiomorpholine
CID 45244037
(3-Methylthiophen-2-yl)-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 47379804
[2-(Methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47426042
[2-[(5-Methylthiophen-2-yl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-(1,3-thiazol-4-yl)methanone
CID 97369833
1,3-Thiazol-4-yl-[8-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 97369931
Pyrrolidin-1-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 24540104
{4-[(4-Methyl-1,3-thiazol-2-yl)methyl]-1-piperazinyl}(2-thienyl)methanone
CID 29697835
N-(2-ethoxybenzyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 53037019

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 128974460) is N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)c1cscn1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is GXJYKFYBERZLMD-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H18FN3OS2/c1-18(15(20)14-9-21-10-17-14)7-12-5-11(16)6-19(12)8-13-3-2-4-22-13/h2-4,9-12H,5-8H2,1H3/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.89, 5 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-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 128974460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).