1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea

C16H25N3O2S — CID 124852088

About 1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea

1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea (PubChem CID 124852088) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea.

Molecular Properties

• Compound Name: 1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
• PubChem CID: 124852088
• Molecular Formula: C16H25N3O2S
• Molecular Weight: 323.46 g/mol
• Exact Mass: 323.17
• IUPAC Name: 1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
• SMILES: COCC1(CNC(=O)N[C@@H](c2ncc(C)s2)C2CC2)CCC1
• InChI: InChI=1S/C16H25N3O2S/c1-11-8-17-14(22-11)13(12-4-5-12)19-15(20)18-9-16(10-21-2)6-3-7-16/h8,12-13H,3-7,9-10H2,1-2H3,(H2,18,19,20)/t13-/m1/s1
• InChIKey: UFGFEWBCKPWGKF-CYBMUJFWSA-N
• XLogP: 3.02
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.46
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea?

The IUPAC name of 1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea (CID 124852088) is 1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea.

What is the SMILES notation for 1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea?

The canonical SMILES for 1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea is COCC1(CNC(=O)N[C@@H](c2ncc(C)s2)C2CC2)CCC1.

What is the InChIKey of 1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea?

The InChIKey is UFGFEWBCKPWGKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-11-8-17-14(22-11)13(12-4-5-12)19-15(20)18-9-16(10-21-2)6-3-7-16/h8,12-13H,3-7,9-10H2,1-2H3,(H2,18,19,20)/t13-/m1/s1.

What are the key properties of 1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea?

1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea has a molecular weight of 323.46 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea is sourced from PubChem (CID 124852088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).