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

C16H26N4O2S — CID 124866504

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

1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]urea (PubChem CID 124866504) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]urea.

Molecular Properties

• Compound Name: 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]urea
• PubChem CID: 124866504
• Molecular Formula: C16H26N4O2S
• Molecular Weight: 338.48 g/mol
• Exact Mass: 338.18
• IUPAC Name: 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]urea
• SMILES: C[C@H](CNC(=O)N[C@@H](c1nccs1)C1CC1)N1CCOC[C@H]1C
• InChI: InChI=1S/C16H26N4O2S/c1-11(20-6-7-22-10-12(20)2)9-18-16(21)19-14(13-3-4-13)15-17-5-8-23-15/h5,8,11-14H,3-4,6-7,9-10H2,1-2H3,(H2,18,19,21)/t11-,12-,14-/m1/s1
• InChIKey: XSJWRWTUYACTOH-YRGRVCCFSA-N
• XLogP: 2.00
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.48
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]urea (CID 124866504) is 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]urea.

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

The canonical SMILES for 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]urea is C[C@H](CNC(=O)N[C@@H](c1nccs1)C1CC1)N1CCOC[C@H]1C.

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

The InChIKey is XSJWRWTUYACTOH-YRGRVCCFSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-11(20-6-7-22-10-12(20)2)9-18-16(21)19-14(13-3-4-13)15-17-5-8-23-15/h5,8,11-14H,3-4,6-7,9-10H2,1-2H3,(H2,18,19,21)/t11-,12-,14-/m1/s1.

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

1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]urea has a molecular weight of 338.48 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]urea is sourced from PubChem (CID 124866504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).