1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea

C18H20N4O3S — CID 118779170

About 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea

1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea (PubChem CID 118779170) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea.

Molecular Properties

• Compound Name: 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
• PubChem CID: 118779170
• Molecular Formula: C18H20N4O3S
• Molecular Weight: 372.45 g/mol
• Exact Mass: 372.13
• IUPAC Name: 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
• SMILES: CCn1c(=O)oc2cc(NC(=O)NCCc3nc4c(s3)CCC4)ccc21
• InChI: InChI=1S/C18H20N4O3S/c1-2-22-13-7-6-11(10-14(13)25-18(22)24)20-17(23)19-9-8-16-21-12-4-3-5-15(12)26-16/h6-7,10H,2-5,8-9H2,1H3,(H2,19,20,23)
• InChIKey: LMHBFHHLUFZWCL-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 89.16 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	372.45
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?

The IUPAC name of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea (CID 118779170) is 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea.

What is the SMILES notation for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?

The canonical SMILES for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea is CCn1c(=O)oc2cc(NC(=O)NCCc3nc4c(s3)CCC4)ccc21.

What is the InChIKey of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?

The InChIKey is LMHBFHHLUFZWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-2-22-13-7-6-11(10-14(13)25-18(22)24)20-17(23)19-9-8-16-21-12-4-3-5-15(12)26-16/h6-7,10H,2-5,8-9H2,1H3,(H2,19,20,23).

What are the key properties of 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea?

1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea has a molecular weight of 372.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea is sourced from PubChem (CID 118779170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).