1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea

C18H21N5O2S — CID 97277183

About 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea

1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea (PubChem CID 97277183) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea
• PubChem CID: 97277183
• Molecular Formula: C18H21N5O2S
• Molecular Weight: 371.47 g/mol
• Exact Mass: 371.14
• IUPAC Name: 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea
• SMILES: Cc1nc(-c2cccc(NC(=O)N[C@@H](C)c3nnc(C(C)C)o3)c2)cs1
• InChI: InChI=1S/C18H21N5O2S/c1-10(2)16-22-23-17(25-16)11(3)19-18(24)21-14-7-5-6-13(8-14)15-9-26-12(4)20-15/h5-11H,1-4H3,(H2,19,21,24)/t11-/m0/s1
• InChIKey: PCJDBWWXQNRDAS-NSHDSACASA-N
• XLogP: 4.51
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.47
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea?

The IUPAC name of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea (CID 97277183) is 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea.

What is the SMILES notation for 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea?

The canonical SMILES for 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea is Cc1nc(-c2cccc(NC(=O)N[C@@H](C)c3nnc(C(C)C)o3)c2)cs1.

What is the InChIKey of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea?

The InChIKey is PCJDBWWXQNRDAS-NSHDSACASA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-10(2)16-22-23-17(25-16)11(3)19-18(24)21-14-7-5-6-13(8-14)15-9-26-12(4)20-15/h5-11H,1-4H3,(H2,19,21,24)/t11-/m0/s1.

What are the key properties of 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea?

1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea has a molecular weight of 371.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea is sourced from PubChem (CID 97277183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).