N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

C16H20F2N4O2S — CID 131682600

About N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131682600) has the molecular formula C16H20F2N4O2S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
• PubChem CID: 131682600
• Molecular Formula: C16H20F2N4O2S
• Molecular Weight: 370.43 g/mol
• Exact Mass: 370.13
• IUPAC Name: N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
• SMILES: O=C(NC1CC(F)(F)C1)C1=NOC2(CCCN(Cc3nccs3)C2)C1
• InChI: InChI=1S/C16H20F2N4O2S/c17-16(18)6-11(7-16)20-14(23)12-8-15(24-21-12)2-1-4-22(10-15)9-13-19-3-5-25-13/h3,5,11H,1-2,4,6-10H2,(H,20,23)
• InChIKey: FOHKPROFIGOBEP-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 66.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.43
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The IUPAC name of N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131682600) is N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide.

What is the SMILES notation for N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The canonical SMILES for N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(NC1CC(F)(F)C1)C1=NOC2(CCCN(Cc3nccs3)C2)C1.

What is the InChIKey of N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

The InChIKey is FOHKPROFIGOBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O2S/c17-16(18)6-11(7-16)20-14(23)12-8-15(24-21-12)2-1-4-22(10-15)9-13-19-3-5-25-13/h3,5,11H,1-2,4,6-10H2,(H,20,23).

What are the key properties of N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide?

N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-difluorocyclobutyl)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131682600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).