1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea

C15H20N4OS — CID 95598162

About 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea

1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 95598162) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

• Compound Name: 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
• PubChem CID: 95598162
• Molecular Formula: C15H20N4OS
• Molecular Weight: 304.42 g/mol
• Exact Mass: 304.14
• IUPAC Name: 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
• SMILES: CC[C@@H](NC(=O)NCc1ccc(C)nc1)c1nc(C)cs1
• InChI: InChI=1S/C15H20N4OS/c1-4-13(14-18-11(3)9-21-14)19-15(20)17-8-12-6-5-10(2)16-7-12/h5-7,9,13H,4,8H2,1-3H3,(H2,17,19,20)/t13-/m1/s1
• InChIKey: LZKNNXKWUUKIRL-CYBMUJFWSA-N
• XLogP: 3.11
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.42
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?

The IUPAC name of 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 95598162) is 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

What is the SMILES notation for 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?

The canonical SMILES for 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is CC[C@@H](NC(=O)NCc1ccc(C)nc1)c1nc(C)cs1.

What is the InChIKey of 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?

The InChIKey is LZKNNXKWUUKIRL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-13(14-18-11(3)9-21-14)19-15(20)17-8-12-6-5-10(2)16-7-12/h5-7,9,13H,4,8H2,1-3H3,(H2,17,19,20)/t13-/m1/s1.

What are the key properties of 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea?

1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 304.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 95598162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).