1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea

C17H20N4O2S — CID 95314566

IUPAC1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1nccs1
InChIInChI=1S/C17H20N4O2S/c1-12(16-18-7-9-24-16)19-17(23)20-14-5-2-4-13(10-14)11-21-8-3-6-15(21)22/h2,4-5,7,9-10,12H,3,6,8,11H2,1H3,(H2,19,20,23)/t12-/m1/s1
InChIKeyUVWVCJLBBZYDDW-GFCCVEGCSA-N
MW344.44 g/mol
LogP3.15
Rot. Bonds5

About 1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea

1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea (PubChem CID 95314566) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
PubChem CID95314566
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1nccs1
InChIInChI=1S/C17H20N4O2S/c1-12(16-18-7-9-24-16)19-17(23)20-14-5-2-4-13(10-14)11-21-8-3-6-15(21)22/h2,4-5,7,9-10,12H,3,6,8,11H2,1H3,(H2,19,20,23)/t12-/m1/s1
InChIKeyUVWVCJLBBZYDDW-GFCCVEGCSA-N
XLogP3.15
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614486
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CID 94784827
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 46469465
1-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 94174304
1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 71685799
1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]urea
CID 95767364
1-(4-methylphenyl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 49470702
1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one
CID 64992946
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
CID 30875155
N-[1-oxo-1-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]propan-2-yl]cyclopentanecarboxamide
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N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-2-phenoxypropanamide
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea (CID 95314566) is 1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea is C[C@@H](NC(=O)Nc1cccc(CN2CCCC2=O)c1)c1nccs1.
What is the InChIKey of 1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is UVWVCJLBBZYDDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12(16-18-7-9-24-16)19-17(23)20-14-5-2-4-13(10-14)11-21-8-3-6-15(21)22/h2,4-5,7,9-10,12H,3,6,8,11H2,1H3,(H2,19,20,23)/t12-/m1/s1.
What are the key properties of 1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea?
1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 344.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 95314566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).