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

C19H24N4O2S — CID 119066015

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

1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 119066015) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea
• PubChem CID: 119066015
• Molecular Formula: C19H24N4O2S
• Molecular Weight: 372.49 g/mol
• Exact Mass: 372.16
• IUPAC Name: 1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea
• SMILES: CCc1nc(C)sc1CNC(=O)Nc1ccc(N2CCCC2=O)c(C)c1
• InChI: InChI=1S/C19H24N4O2S/c1-4-15-17(26-13(3)21-15)11-20-19(25)22-14-7-8-16(12(2)10-14)23-9-5-6-18(23)24/h7-8,10H,4-6,9,11H2,1-3H3,(H2,20,22,25)
• InChIKey: GDULWCJSNQLBQH-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.49
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea?

The IUPAC name of 1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 119066015) is 1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea.

What is the SMILES notation for 1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea?

The canonical SMILES for 1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea is CCc1nc(C)sc1CNC(=O)Nc1ccc(N2CCCC2=O)c(C)c1.

What is the InChIKey of 1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea?

The InChIKey is GDULWCJSNQLBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-4-15-17(26-13(3)21-15)11-20-19(25)22-14-7-8-16(12(2)10-14)23-9-5-6-18(23)24/h7-8,10H,4-6,9,11H2,1-3H3,(H2,20,22,25).

What are the key properties of 1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea?

1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 372.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 119066015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).