1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one

C15H22FN5O2S — CID 128995029

IUPAC1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one
SMILESCN(CC(=O)N1CCNC1=O)C[C@@H]1C[C@H](F)CN1Cc1nccs1
InChIInChI=1S/C15H22FN5O2S/c1-19(10-14(22)21-4-2-18-15(21)23)8-12-6-11(16)7-20(12)9-13-17-3-5-24-13/h3,5,11-12H,2,4,6-10H2,1H3,(H,18,23)/t11-,12-/m0/s1
InChIKeyFTIAAKCUWGBXTO-RYUDHWBXSA-N
MW355.44 g/mol
LogP0.54
Rot. Bonds6

About 1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one

1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one (PubChem CID 128995029) has the molecular formula C15H22FN5O2S and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one
PubChem CID128995029
Molecular FormulaC15H22FN5O2S
Molecular Weight355.44 g/mol
Exact Mass355.15
IUPAC Name1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one
SMILESCN(CC(=O)N1CCNC1=O)C[C@@H]1C[C@H](F)CN1Cc1nccs1
InChIInChI=1S/C15H22FN5O2S/c1-19(10-14(22)21-4-2-18-15(21)23)8-12-6-11(16)7-20(12)9-13-17-3-5-24-13/h3,5,11-12H,2,4,6-10H2,1H3,(H,18,23)/t11-,12-/m0/s1
InChIKeyFTIAAKCUWGBXTO-RYUDHWBXSA-N
XLogP0.54
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[3-(1,3-Thiazol-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
CID 56821751
N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71986715
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 71990369
N-(methylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 72114766
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72006421
5,5-dimethyl-3-[2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethyl]imidazolidine-2,4-dione
CID 95901346
3-[3-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]propyl]imidazolidine-2,4-dione
CID 95901370
1-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-1,3-dimethyl-3-propan-2-ylurea
CID 100749912
N-(2-fluoroethyl)-2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]propanamide
CID 121564758
(2R)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide
CID 124873559
(2S)-N-(2-fluoroethyl)-2-[[(1R)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide
CID 124873561
(2S)-N-(2-fluoroethyl)-2-[[(1S)-1-(1,3-thiazol-2-yl)propyl]carbamoylamino]propanamide
CID 124873563

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one (CID 128995029) is 1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one is CN(CC(=O)N1CCNC1=O)C[C@@H]1C[C@H](F)CN1Cc1nccs1.
What is the InChIKey of 1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one?
The InChIKey is FTIAAKCUWGBXTO-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22FN5O2S/c1-19(10-14(22)21-4-2-18-15(21)23)8-12-6-11(16)7-20(12)9-13-17-3-5-24-13/h3,5,11-12H,2,4,6-10H2,1H3,(H,18,23)/t11-,12-/m0/s1.
What are the key properties of 1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one?
1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one has a molecular weight of 355.44 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 128995029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).