1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea

C17H18N4O2S — CID 71870299

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea (PubChem CID 71870299) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
• PubChem CID: 71870299
• Molecular Formula: C17H18N4O2S
• Molecular Weight: 342.42 g/mol
• Exact Mass: 342.12
• IUPAC Name: 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea
• SMILES: Cc1cnc(-c2cccc(NC(=O)NCc3nc(C)c(C)s3)c2)o1
• InChI: InChI=1S/C17H18N4O2S/c1-10-8-18-16(23-10)13-5-4-6-14(7-13)21-17(22)19-9-15-20-11(2)12(3)24-15/h4-8H,9H2,1-3H3,(H2,19,21,22)
• InChIKey: GGRIRZOOQAJPOY-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.42
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea (CID 71870299) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea.

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

The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea is Cc1cnc(-c2cccc(NC(=O)NCc3nc(C)c(C)s3)c2)o1.

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

The InChIKey is GGRIRZOOQAJPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10-8-18-16(23-10)13-5-4-6-14(7-13)21-17(22)19-9-15-20-11(2)12(3)24-15/h4-8H,9H2,1-3H3,(H2,19,21,22).

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

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea has a molecular weight of 342.42 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[3-(5-methyl-1,3-oxazol-2-yl)phenyl]urea is sourced from PubChem (CID 71870299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).