1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea

C19H24N4O2S — CID 122558093

IUPAC1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
SMILESCCCN1CC(NC(=O)N(Cc2ccccc2)Cc2nccs2)CC1=O
InChIInChI=1S/C19H24N4O2S/c1-2-9-22-13-16(11-18(22)24)21-19(25)23(14-17-20-8-10-26-17)12-15-6-4-3-5-7-15/h3-8,10,16H,2,9,11-14H2,1H3,(H,21,25)
InChIKeyOTCASUKSYDTKLS-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.87
Rot. Bonds7

About 1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea

1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 122558093) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
PubChem CID122558093
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
SMILESCCCN1CC(NC(=O)N(Cc2ccccc2)Cc2nccs2)CC1=O
InChIInChI=1S/C19H24N4O2S/c1-2-9-22-13-16(11-18(22)24)21-19(25)23(14-17-20-8-10-26-17)12-15-6-4-3-5-7-15/h3-8,10,16H,2,9,11-14H2,1H3,(H,21,25)
InChIKeyOTCASUKSYDTKLS-UHFFFAOYSA-N
XLogP2.87
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 119059665
3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
CID 108876584
1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 125436994
1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876896
1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969207
3-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-1-[(4-fluorophenyl)methyl]-1-(pyridin-4-ylmethyl)urea
CID 125446741
1-benzyl-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
CID 7545609
1-cyclopropyl-3-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 125448033
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 56898533
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 95723506
N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 46992210
1-benzyl-3-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-(2-hydroxyethyl)urea
CID 7545625

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea (CID 122558093) is 1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea is CCCN1CC(NC(=O)N(Cc2ccccc2)Cc2nccs2)CC1=O.
What is the InChIKey of 1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is OTCASUKSYDTKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-2-9-22-13-16(11-18(22)24)21-19(25)23(14-17-20-8-10-26-17)12-15-6-4-3-5-7-15/h3-8,10,16H,2,9,11-14H2,1H3,(H,21,25).
What are the key properties of 1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea?
1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 372.49 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-oxo-1-propylpyrrolidin-3-yl)-1-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 122558093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).