1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea

C19H26N4OS — CID 86856304

About 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea

1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea (PubChem CID 86856304) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

• Compound Name: 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
• PubChem CID: 86856304
• Molecular Formula: C19H26N4OS
• Molecular Weight: 358.51 g/mol
• Exact Mass: 358.18
• IUPAC Name: 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
• SMILES: Cc1nc(CN(C)C(=O)NCC(c2ccccc2)N2CCCC2)cs1
• InChI: InChI=1S/C19H26N4OS/c1-15-21-17(14-25-15)13-22(2)19(24)20-12-18(23-10-6-7-11-23)16-8-4-3-5-9-16/h3-5,8-9,14,18H,6-7,10-13H2,1-2H3,(H,20,24)
• InChIKey: AJMBUYDPJYGOHV-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.51
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea (CID 86856304) is 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea.

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

The canonical SMILES for 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea is Cc1nc(CN(C)C(=O)NCC(c2ccccc2)N2CCCC2)cs1.

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

The InChIKey is AJMBUYDPJYGOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-15-21-17(14-25-15)13-22(2)19(24)20-12-18(23-10-6-7-11-23)16-8-4-3-5-9-16/h3-5,8-9,14,18H,6-7,10-13H2,1-2H3,(H,20,24).

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

1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 358.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 86856304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).