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

C18H24N4OS — CID 94030307

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

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea (PubChem CID 94030307) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea.

Molecular Properties

• Compound Name: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
• PubChem CID: 94030307
• Molecular Formula: C18H24N4OS
• Molecular Weight: 344.48 g/mol
• Exact Mass: 344.17
• IUPAC Name: 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
• SMILES: Cc1nc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cs1
• InChI: InChI=1S/C18H24N4OS/c1-14-20-16(13-24-14)11-19-18(23)21-17(12-22-9-5-6-10-22)15-7-3-2-4-8-15/h2-4,7-8,13,17H,5-6,9-12H2,1H3,(H2,19,21,23)/t17-/m1/s1
• InChIKey: GWSZIWABMFSEPK-QGZVFWFLSA-N
• XLogP: 3.09
• TPSA: 57.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.48
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea (CID 94030307) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea.

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

The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea is Cc1nc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cs1.

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

The InChIKey is GWSZIWABMFSEPK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14-20-16(13-24-14)11-19-18(23)21-17(12-22-9-5-6-10-22)15-7-3-2-4-8-15/h2-4,7-8,13,17H,5-6,9-12H2,1H3,(H2,19,21,23)/t17-/m1/s1.

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

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea has a molecular weight of 344.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea is sourced from PubChem (CID 94030307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).