1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine

C18H24N4OS — CID 50957393

IUPAC1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CNCc2csc(C34CC5CC(CC(C5)C3)C4)n2)o1
InChIInChI=1S/C18H24N4OS/c1-11-21-22-16(23-11)9-19-8-15-10-24-17(20-15)18-5-12-2-13(6-18)4-14(3-12)7-18/h10,12-14,19H,2-9H2,1H3
InChIKeyXCZJZZFHHFNVIZ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.59
Rot. Bonds5

About 1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine

1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 50957393) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID50957393
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CNCc2csc(C34CC5CC(CC(C5)C3)C4)n2)o1
InChIInChI=1S/C18H24N4OS/c1-11-21-22-16(23-11)9-19-8-15-10-24-17(20-15)18-5-12-2-13(6-18)4-14(3-12)7-18/h10,12-14,19H,2-9H2,1H3
InChIKeyXCZJZZFHHFNVIZ-UHFFFAOYSA-N
XLogP3.59
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 50957393) is 1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is Cc1nnc(CNCc2csc(C34CC5CC(CC(C5)C3)C4)n2)o1.
What is the InChIKey of 1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is XCZJZZFHHFNVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-11-21-22-16(23-11)9-19-8-15-10-24-17(20-15)18-5-12-2-13(6-18)4-14(3-12)7-18/h10,12-14,19H,2-9H2,1H3.
What are the key properties of 1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 344.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)-1,3-thiazol-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 50957393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).