N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine

C72H89N9O2S5 — CID 157384351

About N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine

N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine (PubChem CID 157384351) has the molecular formula C72H89N9O2S5 and a molecular weight of 1272.90 g/mol. Its IUPAC name is N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine.

Molecular Properties

• Compound Name: N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine
• PubChem CID: 157384351
• Molecular Formula: C72H89N9O2S5
• Molecular Weight: 1272.90 g/mol
• Exact Mass: 1271.57
• IUPAC Name: N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine
• SMILES: c1cc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)co2)cs1.c1csc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)on2)c1.c1csc(-c2nnc(CNC34CC5CC(CC(C5)C3)C4)s2)c1.c1csc(C2=NCC(CNC34CC5CC(CC(C5)C3)C4)=N2)c1
• InChI: InChI=1S/C19H23NOS.C18H23N3S.C18H22N2OS.C17H21N3S2/c1-2-22-12-17(1)18-6-16(11-21-18)10-20-19-7-13-3-14(8-19)5-15(4-13)9-19;1-2-16(22-3-1)17-19-10-15(21-17)11-20-18-7-12-4-13(8-18)6-14(5-12)9-18;1-2-17(22-3-1)16-7-15(21-20-16)11-19-18-8-12-4-13(9-18)6-14(5-12)10-18;1-2-14(21-3-1)16-20-19-15(22-16)10-18-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-2,6,11-15,20H,3-5,7-10H2;1-3,12-14,20H,4-11H2;1-3,7,12-14,19H,4-6,8-11H2;1-3,11-13,18H,4-10H2
• InChIKey: BLGIFIACLZAEAK-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 137.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1272.90
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine?

The IUPAC name of N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine (CID 157384351) is N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine.

What is the SMILES notation for N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine?

The canonical SMILES for N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine is c1cc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)co2)cs1.c1csc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)on2)c1.c1csc(-c2nnc(CNC34CC5CC(CC(C5)C3)C4)s2)c1.c1csc(C2=NCC(CNC34CC5CC(CC(C5)C3)C4)=N2)c1.

What is the InChIKey of N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine?

The InChIKey is BLGIFIACLZAEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS.C18H23N3S.C18H22N2OS.C17H21N3S2/c1-2-22-12-17(1)18-6-16(11-21-18)10-20-19-7-13-3-14(8-19)5-15(4-13)9-19;1-2-16(22-3-1)17-19-10-15(21-17)11-20-18-7-12-4-13(8-18)6-14(5-12)9-18;1-2-17(22-3-1)16-7-15(21-20-16)11-19-18-8-12-4-13(9-18)6-14(5-12)10-18;1-2-14(21-3-1)16-20-19-15(22-16)10-18-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-2,6,11-15,20H,3-5,7-10H2;1-3,12-14,20H,4-11H2;1-3,7,12-14,19H,4-6,8-11H2;1-3,11-13,18H,4-10H2.

What are the key properties of N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine?

N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine has a molecular weight of 1272.90 g/mol, XLogP of 17.36, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 157384351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).