3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea

C19H24N4O2S — CID 126438704

IUPAC3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
SMILESCCN1C[C@@H](CNC(=O)N(C)Cc2csc(-c3ccccc3)n2)CC1=O
InChIInChI=1S/C19H24N4O2S/c1-3-23-11-14(9-17(23)24)10-20-19(25)22(2)12-16-13-26-18(21-16)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H,20,25)/t14-/m1/s1
InChIKeyDAAGPDWLGBQYND-CQSZACIVSA-N
MW372.49 g/mol
LogP2.82
Rot. Bonds6

About 3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea

3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 126438704) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID126438704
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
SMILESCCN1C[C@@H](CNC(=O)N(C)Cc2csc(-c3ccccc3)n2)CC1=O
InChIInChI=1S/C19H24N4O2S/c1-3-23-11-14(9-17(23)24)10-20-19(25)22(2)12-16-13-26-18(21-16)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H,20,25)/t14-/m1/s1
InChIKeyDAAGPDWLGBQYND-CQSZACIVSA-N
XLogP2.82
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea (CID 126438704) is 3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea is CCN1C[C@@H](CNC(=O)N(C)Cc2csc(-c3ccccc3)n2)CC1=O.
What is the InChIKey of 3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is DAAGPDWLGBQYND-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-3-23-11-14(9-17(23)24)10-20-19(25)22(2)12-16-13-26-18(21-16)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H,20,25)/t14-/m1/s1.
What are the key properties of 3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea?
3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 372.49 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 126438704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).