1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea

C19H22N4O2S — CID 146366372

About 1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea

1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea (PubChem CID 146366372) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea.

Molecular Properties

• Compound Name: 1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
• PubChem CID: 146366372
• Molecular Formula: C19H22N4O2S
• Molecular Weight: 370.48 g/mol
• Exact Mass: 370.15
• IUPAC Name: 1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
• SMILES: O=C(Nc1csc(-c2ccc(C3=CCOC3)cc2)n1)N[C@H]1CCCNC1
• InChI: InChI=1S/C19H22N4O2S/c24-19(21-16-2-1-8-20-10-16)23-17-12-26-18(22-17)14-5-3-13(4-6-14)15-7-9-25-11-15/h3-7,12,16,20H,1-2,8-11H2,(H2,21,23,24)/t16-/m0/s1
• InChIKey: GTBVJFIGZJFBSY-INIZCTEOSA-N
• XLogP: 3.10
• TPSA: 75.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.48
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?

The IUPAC name of 1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea (CID 146366372) is 1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea.

What is the SMILES notation for 1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?

The canonical SMILES for 1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea is O=C(Nc1csc(-c2ccc(C3=CCOC3)cc2)n1)N[C@H]1CCCNC1.

What is the InChIKey of 1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?

The InChIKey is GTBVJFIGZJFBSY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-19(21-16-2-1-8-20-10-16)23-17-12-26-18(22-17)14-5-3-13(4-6-14)15-7-9-25-11-15/h3-7,12,16,20H,1-2,8-11H2,(H2,21,23,24)/t16-/m0/s1.

What are the key properties of 1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?

1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea has a molecular weight of 370.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(2,5-dihydrofuran-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea is sourced from PubChem (CID 146366372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).