1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

C18H23N3O2S — CID 94181903

About 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 94181903) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
• PubChem CID: 94181903
• Molecular Formula: C18H23N3O2S
• Molecular Weight: 345.47 g/mol
• Exact Mass: 345.15
• IUPAC Name: 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
• SMILES: Cc1csc(CNC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1
• InChI: InChI=1S/C18H23N3O2S/c1-11-7-15(11)16-6-5-14(23-16)9-21(13-3-4-13)18(22)19-8-17-20-12(2)10-24-17/h5-6,10-11,13,15H,3-4,7-9H2,1-2H3,(H,19,22)/t11-,15+/m1/s1
• InChIKey: OTFXJRRFQILWHE-ABAIWWIYSA-N
• XLogP: 4.04
• 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	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?

The IUPAC name of 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (CID 94181903) is 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.

What is the SMILES notation for 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?

The canonical SMILES for 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is Cc1csc(CNC(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1.

What is the InChIKey of 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?

The InChIKey is OTFXJRRFQILWHE-ABAIWWIYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-11-7-15(11)16-6-5-14(23-16)9-21(13-3-4-13)18(22)19-8-17-20-12(2)10-24-17/h5-6,10-11,13,15H,3-4,7-9H2,1-2H3,(H,19,22)/t11-,15+/m1/s1.

What are the key properties of 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?

1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 345.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 94181903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).