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

C16H24FN5O2S — CID 128993919

IUPAC1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)CC(=O)N2CCNC2=O)cs1
InChIInChI=1S/C16H24FN5O2S/c1-11-19-13(10-25-11)7-21-6-12(17)5-14(21)8-20(2)9-15(23)22-4-3-18-16(22)24/h10,12,14H,3-9H2,1-2H3,(H,18,24)/t12-,14-/m0/s1
InChIKeyNZVXSDILUMKFFP-JSGCOSHPSA-N
MW369.47 g/mol
LogP0.85
Rot. Bonds6

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

1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one (PubChem CID 128993919) has the molecular formula C16H24FN5O2S and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one
PubChem CID128993919
Molecular FormulaC16H24FN5O2S
Molecular Weight369.47 g/mol
Exact Mass369.16
IUPAC Name1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)CC(=O)N2CCNC2=O)cs1
InChIInChI=1S/C16H24FN5O2S/c1-11-19-13(10-25-11)7-21-6-12(17)5-14(21)8-20(2)9-15(23)22-4-3-18-16(22)24/h10,12,14H,3-9H2,1-2H3,(H,18,24)/t12-,14-/m0/s1
InChIKeyNZVXSDILUMKFFP-JSGCOSHPSA-N
XLogP0.85
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one
CID 128972445
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120857676
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 128971547
3-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 154736953
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]oxane-3-carboxamide
CID 128973167
1-[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 128972237
1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]imidazolidin-2-one
CID 56809947
1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine
CID 128971470
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 47101126
1-[(2S,4S)-4-fluoro-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-N-methyl-N-(thiadiazol-4-ylmethyl)methanamine
CID 128972455
1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441678
3-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 63600820

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one (CID 128993919) is 1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one is Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)CC(=O)N2CCNC2=O)cs1.
What is the InChIKey of 1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one?
The InChIKey is NZVXSDILUMKFFP-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H24FN5O2S/c1-11-19-13(10-25-11)7-21-6-12(17)5-14(21)8-20(2)9-15(23)22-4-3-18-16(22)24/h10,12,14H,3-9H2,1-2H3,(H,18,24)/t12-,14-/m0/s1.
What are the key properties of 1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one?
1-[2-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one has a molecular weight of 369.47 g/mol, XLogP of 0.85, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 128993919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).