1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea

C18H23N3O2S — CID 97048818

About 1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea

1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea (PubChem CID 97048818) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
• PubChem CID: 97048818
• Molecular Formula: C18H23N3O2S
• Molecular Weight: 345.47 g/mol
• Exact Mass: 345.15
• IUPAC Name: 1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
• SMILES: Cc1csc([C@H](NC(=O)N(C2CC2)[C@H](C)c2ccco2)C2CC2)n1
• InChI: InChI=1S/C18H23N3O2S/c1-11-10-24-17(19-11)16(13-5-6-13)20-18(22)21(14-7-8-14)12(2)15-4-3-9-23-15/h3-4,9-10,12-14,16H,5-8H2,1-2H3,(H,20,22)/t12-,16-/m1/s1
• InChIKey: ISMGKSAGPYIYAM-MLGOLLRUSA-N
• XLogP: 4.43
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.47
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea?

The IUPAC name of 1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea (CID 97048818) is 1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea.

What is the SMILES notation for 1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea?

The canonical SMILES for 1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea is Cc1csc([C@H](NC(=O)N(C2CC2)[C@H](C)c2ccco2)C2CC2)n1.

What is the InChIKey of 1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea?

The InChIKey is ISMGKSAGPYIYAM-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-11-10-24-17(19-11)16(13-5-6-13)20-18(22)21(14-7-8-14)12(2)15-4-3-9-23-15/h3-4,9-10,12-14,16H,5-8H2,1-2H3,(H,20,22)/t12-,16-/m1/s1.

What are the key properties of 1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea?

1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea has a molecular weight of 345.47 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 97048818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).