1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea

C25H25N5OS — CID 57473566

About 1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea

1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea (PubChem CID 57473566) has the molecular formula C25H25N5OS and a molecular weight of 443.58 g/mol. Its IUPAC name is 1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea.

Molecular Properties

• Compound Name: 1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea
• PubChem CID: 57473566
• Molecular Formula: C25H25N5OS
• Molecular Weight: 443.58 g/mol
• Exact Mass: 443.18
• IUPAC Name: 1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea
• SMILES: Cc1ccc(NC(=O)Nc2cc(C)c(C)c(C)c2)cc1Nc1nc(-c2cccnc2)cs1
• InChI: InChI=1S/C25H25N5OS/c1-15-7-8-20(27-24(31)28-21-10-16(2)18(4)17(3)11-21)12-22(15)29-25-30-23(14-32-25)19-6-5-9-26-13-19/h5-14H,1-4H3,(H,29,30)(H2,27,28,31)
• InChIKey: RSCXDVNSDLHTLX-UHFFFAOYSA-N
• XLogP: 6.83
• TPSA: 78.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.58
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea?

The IUPAC name of 1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea (CID 57473566) is 1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea.

What is the SMILES notation for 1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea?

The canonical SMILES for 1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea is Cc1ccc(NC(=O)Nc2cc(C)c(C)c(C)c2)cc1Nc1nc(-c2cccnc2)cs1.

What is the InChIKey of 1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea?

The InChIKey is RSCXDVNSDLHTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5OS/c1-15-7-8-20(27-24(31)28-21-10-16(2)18(4)17(3)11-21)12-22(15)29-25-30-23(14-32-25)19-6-5-9-26-13-19/h5-14H,1-4H3,(H,29,30)(H2,27,28,31).

What are the key properties of 1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea?

1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea has a molecular weight of 443.58 g/mol, XLogP of 6.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea is sourced from PubChem (CID 57473566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).