3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea

C15H17F2N3O2S — CID 167327101

About 3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea

3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea (PubChem CID 167327101) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea.

Molecular Properties

• Compound Name: 3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea
• PubChem CID: 167327101
• Molecular Formula: C15H17F2N3O2S
• Molecular Weight: 341.38 g/mol
• Exact Mass: 341.10
• IUPAC Name: 3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea
• SMILES: C[C@H](O)CN(C)C(=O)Nc1ncc(Cc2c(F)cccc2F)s1
• InChI: InChI=1S/C15H17F2N3O2S/c1-9(21)8-20(2)15(22)19-14-18-7-10(23-14)6-11-12(16)4-3-5-13(11)17/h3-5,7,9,21H,6,8H2,1-2H3,(H,18,19,22)/t9-/m0/s1
• InChIKey: YPPGZYVMOIXLLQ-VIFPVBQESA-N
• XLogP: 2.86
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.38
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea?

The IUPAC name of 3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea (CID 167327101) is 3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea.

What is the SMILES notation for 3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea?

The canonical SMILES for 3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea is C[C@H](O)CN(C)C(=O)Nc1ncc(Cc2c(F)cccc2F)s1.

What is the InChIKey of 3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea?

The InChIKey is YPPGZYVMOIXLLQ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c1-9(21)8-20(2)15(22)19-14-18-7-10(23-14)6-11-12(16)4-3-5-13(11)17/h3-5,7,9,21H,6,8H2,1-2H3,(H,18,19,22)/t9-/m0/s1.

What are the key properties of 3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea?

3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea has a molecular weight of 341.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[(2S)-2-hydroxypropyl]-1-methylurea is sourced from PubChem (CID 167327101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).