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

C19H28N4OS — CID 125436542

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

1-methyl-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 125436542) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 1-methyl-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-methyl-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
• PubChem CID: 125436542
• Molecular Formula: C19H28N4OS
• Molecular Weight: 360.53 g/mol
• Exact Mass: 360.20
• IUPAC Name: 1-methyl-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
• SMILES: Cc1cccnc1C[C@@H](C)N(C)C(=O)NCCc1csc(C(C)C)n1
• InChI: InChI=1S/C19H28N4OS/c1-13(2)18-22-16(12-25-18)8-10-21-19(24)23(5)15(4)11-17-14(3)7-6-9-20-17/h6-7,9,12-13,15H,8,10-11H2,1-5H3,(H,21,24)/t15-/m1/s1
• InChIKey: CRQXQRSDEBNGSQ-OAHLLOKOSA-N
• XLogP: 3.79
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.53
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-methyl-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea (CID 125436542) is 1-methyl-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea.

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

The canonical SMILES for 1-methyl-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea is Cc1cccnc1C[C@@H](C)N(C)C(=O)NCCc1csc(C(C)C)n1.

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

The InChIKey is CRQXQRSDEBNGSQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-13(2)18-22-16(12-25-18)8-10-21-19(24)23(5)15(4)11-17-14(3)7-6-9-20-17/h6-7,9,12-13,15H,8,10-11H2,1-5H3,(H,21,24)/t15-/m1/s1.

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

1-methyl-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 360.53 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 125436542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).