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

C13H19N5OS — CID 164636544

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

1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 164636544) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
• PubChem CID: 164636544
• Molecular Formula: C13H19N5OS
• Molecular Weight: 293.40 g/mol
• Exact Mass: 293.13
• IUPAC Name: 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
• SMILES: Cc1cnc([C@H](C)NC(=O)N(C)Cc2ccn(C)n2)s1
• InChI: InChI=1S/C13H19N5OS/c1-9-7-14-12(20-9)10(2)15-13(19)17(3)8-11-5-6-18(4)16-11/h5-7,10H,8H2,1-4H3,(H,15,19)/t10-/m0/s1
• InChIKey: NSWPDFAGIQBZHK-JTQLQIEISA-N
• XLogP: 2.09
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.40
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 164636544) is 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

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

The canonical SMILES for 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is Cc1cnc([C@H](C)NC(=O)N(C)Cc2ccn(C)n2)s1.

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

The InChIKey is NSWPDFAGIQBZHK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5OS/c1-9-7-14-12(20-9)10(2)15-13(19)17(3)8-11-5-6-18(4)16-11/h5-7,10H,8H2,1-4H3,(H,15,19)/t10-/m0/s1.

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

1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 293.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-1-[(1-methylpyrazol-3-yl)methyl]-3-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 164636544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).