1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea

C14H19F2N5OS — CID 56826814

About 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea

1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 56826814) has the molecular formula C14H19F2N5OS and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

• Compound Name: 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
• PubChem CID: 56826814
• Molecular Formula: C14H19F2N5OS
• Molecular Weight: 343.40 g/mol
• Exact Mass: 343.13
• IUPAC Name: 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
• SMILES: CCC(NC(=O)NCCc1nccn1C(F)F)c1nc(C)cs1
• InChI: InChI=1S/C14H19F2N5OS/c1-3-10(12-19-9(2)8-23-12)20-14(22)18-5-4-11-17-6-7-21(11)13(15)16/h6-8,10,13H,3-5H2,1-2H3,(H2,18,20,22)
• InChIKey: YEBZPNVKSQKZKP-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.40
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?

The IUPAC name of 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 56826814) is 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

What is the SMILES notation for 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?

The canonical SMILES for 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is CCC(NC(=O)NCCc1nccn1C(F)F)c1nc(C)cs1.

What is the InChIKey of 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?

The InChIKey is YEBZPNVKSQKZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5OS/c1-3-10(12-19-9(2)8-23-12)20-14(22)18-5-4-11-17-6-7-21(11)13(15)16/h6-8,10,13H,3-5H2,1-2H3,(H2,18,20,22).

What are the key properties of 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?

1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 343.40 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 56826814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).