5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine

C14H21N3S — CID 44782527

IUPAC5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine
SMILESCC12CC3CC(C)(C1)CC(c1nnc(N)s1)(C3)C2
InChIInChI=1S/C14H21N3S/c1-12-3-9-4-13(2,6-12)8-14(5-9,7-12)10-16-17-11(15)18-10/h9H,3-8H2,1-2H3,(H2,15,17)
InChIKeyUHDCZTHQKYYBPZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.37
Rot. Bonds1

About 5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine

5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine (PubChem CID 44782527) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine
PubChem CID44782527
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine
SMILESCC12CC3CC(C)(C1)CC(c1nnc(N)s1)(C3)C2
InChIInChI=1S/C14H21N3S/c1-12-3-9-4-13(2,6-12)8-14(5-9,7-12)10-16-17-11(15)18-10/h9H,3-8H2,1-2H3,(H2,15,17)
InChIKeyUHDCZTHQKYYBPZ-UHFFFAOYSA-N
XLogP3.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine (CID 44782527) is 5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine is CC12CC3CC(C)(C1)CC(c1nnc(N)s1)(C3)C2.
What is the InChIKey of 5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UHDCZTHQKYYBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-12-3-9-4-13(2,6-12)8-14(5-9,7-12)10-16-17-11(15)18-10/h9H,3-8H2,1-2H3,(H2,15,17).
What are the key properties of 5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine?
5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1-adamantyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 44782527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).