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

C16H26N4OS — CID 97099606

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

1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 97099606) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
• PubChem CID: 97099606
• Molecular Formula: C16H26N4OS
• Molecular Weight: 322.48 g/mol
• Exact Mass: 322.18
• IUPAC Name: 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
• SMILES: CCN(CCNC(=O)N[C@@H](c1ncc(C)s1)C1CC1)C1CC1
• InChI: InChI=1S/C16H26N4OS/c1-3-20(13-6-7-13)9-8-17-16(21)19-14(12-4-5-12)15-18-10-11(2)22-15/h10,12-14H,3-9H2,1-2H3,(H2,17,19,21)/t14-/m1/s1
• InChIKey: NEPTTYGWXZDDSX-CQSZACIVSA-N
• XLogP: 2.69
• TPSA: 57.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.48
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea (CID 97099606) is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea.

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

The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea is CCN(CCNC(=O)N[C@@H](c1ncc(C)s1)C1CC1)C1CC1.

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

The InChIKey is NEPTTYGWXZDDSX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-3-20(13-6-7-13)9-8-17-16(21)19-14(12-4-5-12)15-18-10-11(2)22-15/h10,12-14H,3-9H2,1-2H3,(H2,17,19,21)/t14-/m1/s1.

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

1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 322.48 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 97099606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).