1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea

C16H25N3OS — CID 97048827

About 1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea

1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea (PubChem CID 97048827) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea
• PubChem CID: 97048827
• Molecular Formula: C16H25N3OS
• Molecular Weight: 307.46 g/mol
• Exact Mass: 307.17
• IUPAC Name: 1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea
• SMILES: CC(C)[C@H](C)N(C(=O)N[C@H](c1nccs1)C1CC1)C1CC1
• InChI: InChI=1S/C16H25N3OS/c1-10(2)11(3)19(13-6-7-13)16(20)18-14(12-4-5-12)15-17-8-9-21-15/h8-14H,4-7H2,1-3H3,(H,18,20)/t11-,14-/m0/s1
• InChIKey: WQHCPYZSAFVAAT-FZMZJTMJSA-N
• XLogP: 3.81
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.46
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea?

The IUPAC name of 1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea (CID 97048827) is 1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea.

What is the SMILES notation for 1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea?

The canonical SMILES for 1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea is CC(C)[C@H](C)N(C(=O)N[C@H](c1nccs1)C1CC1)C1CC1.

What is the InChIKey of 1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea?

The InChIKey is WQHCPYZSAFVAAT-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-10(2)11(3)19(13-6-7-13)16(20)18-14(12-4-5-12)15-17-8-9-21-15/h8-14H,4-7H2,1-3H3,(H,18,20)/t11-,14-/m0/s1.

What are the key properties of 1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea?

1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea has a molecular weight of 307.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea is sourced from PubChem (CID 97048827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).