1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea

C17H20N6O3S — CID 141350281

About 1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea

1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea (PubChem CID 141350281) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea.

Molecular Properties

• Compound Name: 1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea
• PubChem CID: 141350281
• Molecular Formula: C17H20N6O3S
• Molecular Weight: 388.45 g/mol
• Exact Mass: 388.13
• IUPAC Name: 1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea
• SMILES: CC(C)Oc1ccc(Oc2ncc(-c3cc(C(C)NC(N)=O)[nH]n3)s2)cn1
• InChI: InChI=1S/C17H20N6O3S/c1-9(2)25-15-5-4-11(7-19-15)26-17-20-8-14(27-17)13-6-12(22-23-13)10(3)21-16(18)24/h4-10H,1-3H3,(H,22,23)(H3,18,21,24)
• InChIKey: XOEQOIVCEQDJNP-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 128.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.45
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea?

The IUPAC name of 1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea (CID 141350281) is 1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea.

What is the SMILES notation for 1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea?

The canonical SMILES for 1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea is CC(C)Oc1ccc(Oc2ncc(-c3cc(C(C)NC(N)=O)[nH]n3)s2)cn1.

What is the InChIKey of 1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea?

The InChIKey is XOEQOIVCEQDJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-9(2)25-15-5-4-11(7-19-15)26-17-20-8-14(27-17)13-6-12(22-23-13)10(3)21-16(18)24/h4-10H,1-3H3,(H,22,23)(H3,18,21,24).

What are the key properties of 1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea?

1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea has a molecular weight of 388.45 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[(6-propan-2-yloxy-3-pyridinyl)oxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethylurea is sourced from PubChem (CID 141350281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).