1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea

C19H22FN3O2S — CID 86900679

About 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea

1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea (PubChem CID 86900679) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
• PubChem CID: 86900679
• Molecular Formula: C19H22FN3O2S
• Molecular Weight: 375.47 g/mol
• Exact Mass: 375.14
• IUPAC Name: 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
• SMILES: Cc1nc(C)c(CCNC(=O)NC(C)c2oc3ccc(F)cc3c2C)s1
• InChI: InChI=1S/C19H22FN3O2S/c1-10-15-9-14(20)5-6-16(15)25-18(10)12(3)23-19(24)21-8-7-17-11(2)22-13(4)26-17/h5-6,9,12H,7-8H2,1-4H3,(H2,21,23,24)
• InChIKey: VQLZTEJIVSEBIQ-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 67.16 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	375.47
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea (CID 86900679) is 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea.

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

The canonical SMILES for 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea is Cc1nc(C)c(CCNC(=O)NC(C)c2oc3ccc(F)cc3c2C)s1.

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

The InChIKey is VQLZTEJIVSEBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-10-15-9-14(20)5-6-16(15)25-18(10)12(3)23-19(24)21-8-7-17-11(2)22-13(4)26-17/h5-6,9,12H,7-8H2,1-4H3,(H2,21,23,24).

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

1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea has a molecular weight of 375.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea is sourced from PubChem (CID 86900679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).