N-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide

C16H23FN4O2S — CID 70769955

IUPACN-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCc1nc(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)N2CCCC2)cs1
InChIInChI=1S/C16H23FN4O2S/c1-11-19-13(10-24-11)7-15(22)21-9-12(17)6-14(21)8-18-16(23)20-4-2-3-5-20/h10,12,14H,2-9H2,1H3,(H,18,23)/t12-,14-/m0/s1
InChIKeyXETGZKSENCRZKT-JSGCOSHPSA-N
MW354.45 g/mol
LogP1.74
Rot. Bonds4

About N-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide

N-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 70769955) has the molecular formula C16H23FN4O2S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID70769955
Molecular FormulaC16H23FN4O2S
Molecular Weight354.45 g/mol
Exact Mass354.15
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESCc1nc(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)N2CCCC2)cs1
InChIInChI=1S/C16H23FN4O2S/c1-11-19-13(10-24-11)7-15(22)21-9-12(17)6-14(21)8-18-16(23)20-4-2-3-5-20/h10,12,14H,2-9H2,1H3,(H,18,23)/t12-,14-/m0/s1
InChIKeyXETGZKSENCRZKT-JSGCOSHPSA-N
XLogP1.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 53568710
N-[(1S,2R)-2-[(1-ethylpiperidin-4-yl)amino]cyclobutyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56905883
1-(1-Tert-butyl-5-oxopyrrolidin-3-yl)-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]urea
CID 71924022
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 71936708
1-(1-Tert-butyl-5-oxopyrrolidin-3-yl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 71976439
(2S)-1-acetyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 53519722
2-N,2-N-diethyl-1-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 71868297
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 47048722
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 51092379
(2R)-1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 52247561
(2S)-1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 52247562
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55716183

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide (CID 70769955) is N-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide is Cc1nc(CC(=O)N2C[C@@H](F)C[C@H]2CNC(=O)N2CCCC2)cs1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is XETGZKSENCRZKT-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H23FN4O2S/c1-11-19-13(10-24-11)7-15(22)21-9-12(17)6-14(21)8-18-16(23)20-4-2-3-5-20/h10,12,14H,2-9H2,1H3,(H,18,23)/t12-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 70769955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).