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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine

C72H89N9O3S4 — CID 158472740

IUPACN-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine
SMILESc1cc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)co2)cs1.c1csc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)on2)c1.c1csc(-c2nnc(CNC34CC5CC(CC(C5)C3)C4)o2)c1.c1csc(C2=NCC(CNC34CC5CC(CC(C5)C3)C4)=N2)c1
InChIInChI=1S/C19H23NOS.C18H23N3S.C18H22N2OS.C17H21N3OS/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(22-3-1)16-20-19-15(21-16)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
InChIKeyHGNXSVPOYMFWCJ-UHFFFAOYSA-N
MW1256.83 g/mol
LogP16.89
Rot. Bonds16

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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine (PubChem CID 158472740) has the molecular formula C72H89N9O3S4 and a molecular weight of 1256.83 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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine
PubChem CID158472740
Molecular FormulaC72H89N9O3S4
Molecular Weight1256.83 g/mol
Exact Mass1255.60
IUPAC NameN-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine
SMILESc1cc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)co2)cs1.c1csc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)on2)c1.c1csc(-c2nnc(CNC34CC5CC(CC(C5)C3)C4)o2)c1.c1csc(C2=NCC(CNC34CC5CC(CC(C5)C3)C4)=N2)c1
InChIInChI=1S/C19H23NOS.C18H23N3S.C18H22N2OS.C17H21N3OS/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(22-3-1)16-20-19-15(21-16)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
InChIKeyHGNXSVPOYMFWCJ-UHFFFAOYSA-N
XLogP16.89
TPSA150.93 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001256.83
LogP ≤ 516.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

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
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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine
CID 158917350
N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine
CID 160293307

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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine (CID 158472740) 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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-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)o2)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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine?
The InChIKey is HGNXSVPOYMFWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS.C18H23N3S.C18H22N2OS.C17H21N3OS/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(22-3-1)16-20-19-15(21-16)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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine has a molecular weight of 1256.83 g/mol, XLogP of 16.89, 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-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 158472740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).