1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C16H23N5OS — CID 96518570

About 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 96518570) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
• PubChem CID: 96518570
• Molecular Formula: C16H23N5OS
• Molecular Weight: 333.46 g/mol
• Exact Mass: 333.16
• IUPAC Name: 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
• SMILES: Cc1nn(C)c(C)c1[C@H](C)NC(=O)N[C@H](c1nccs1)C1CC1
• InChI: InChI=1S/C16H23N5OS/c1-9(13-10(2)20-21(4)11(13)3)18-16(22)19-14(12-5-6-12)15-17-7-8-23-15/h7-9,12,14H,5-6H2,1-4H3,(H2,18,19,22)/t9-,14-/m0/s1
• InChIKey: IIULTQNMNPNFBF-XPTSAGLGSA-N
• XLogP: 3.00
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.46
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 96518570) is 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

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

The canonical SMILES for 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1nn(C)c(C)c1[C@H](C)NC(=O)N[C@H](c1nccs1)C1CC1.

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

The InChIKey is IIULTQNMNPNFBF-XPTSAGLGSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-9(13-10(2)20-21(4)11(13)3)18-16(22)19-14(12-5-6-12)15-17-7-8-23-15/h7-9,12,14H,5-6H2,1-4H3,(H2,18,19,22)/t9-,14-/m0/s1.

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

1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 333.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 96518570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).