5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

C18H15BrN2O2S — CID 1407284

About 5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide

5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 1407284) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is 5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 1407284
• Molecular Formula: C18H15BrN2O2S
• Molecular Weight: 403.30 g/mol
• Exact Mass: 402.00
• IUPAC Name: 5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc(Br)o1
• InChI: InChI=1S/C18H15BrN2O2S/c19-16-8-7-15(23-16)17(22)21-18-20-14(10-24-18)13-6-5-11-3-1-2-4-12(11)9-13/h5-10H,1-4H2,(H,20,21,22)
• InChIKey: RFSULOIJOGKBEO-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.30
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of 5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 1407284) is 5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for 5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for 5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc(Br)o1.

What is the InChIKey of 5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is RFSULOIJOGKBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c19-16-8-7-15(23-16)17(22)21-18-20-14(10-24-18)13-6-5-11-3-1-2-4-12(11)9-13/h5-10H,1-4H2,(H,20,21,22).

What are the key properties of 5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?

5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 403.30 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1407284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).