1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea

C26H28FN5O2S — CID 162664883

About 1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea

1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 162664883) has the molecular formula C26H28FN5O2S and a molecular weight of 493.61 g/mol. Its IUPAC name is 1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

• Compound Name: 1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea
• PubChem CID: 162664883
• Molecular Formula: C26H28FN5O2S
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.19
• IUPAC Name: 1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea
• SMILES: CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21
• InChI: InChI=1S/C26H28FN5O2S/c1-2-32-16-23(30-26(33)28-14-18-3-6-20(27)7-4-18)22-13-19(5-8-24(22)32)25-29-21(17-35-25)15-31-9-11-34-12-10-31/h3-8,13,16-17H,2,9-12,14-15H2,1H3,(H2,28,30,33)
• InChIKey: HNBZEHBMDOKSTG-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 71.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea?

The IUPAC name of 1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea (CID 162664883) is 1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea.

What is the SMILES notation for 1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea?

The canonical SMILES for 1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea is CCn1cc(NC(=O)NCc2ccc(F)cc2)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21.

What is the InChIKey of 1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea?

The InChIKey is HNBZEHBMDOKSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2S/c1-2-32-16-23(30-26(33)28-14-18-3-6-20(27)7-4-18)22-13-19(5-8-24(22)32)25-29-21(17-35-25)15-31-9-11-34-12-10-31/h3-8,13,16-17H,2,9-12,14-15H2,1H3,(H2,28,30,33).

What are the key properties of 1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea?

1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 493.61 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 162664883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).