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

C14H21N3S — CID 10378089

IUPAC5-(1-adamantyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C14H21N3S/c1-2-15-13-17-16-12(18-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3,(H,15,17)
InChIKeyZCOJTMSZPQDZGM-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.44
Rot. Bonds3

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

5-(1-adamantyl)-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 10378089) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-(1-adamantyl)-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-adamantyl)-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID10378089
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5-(1-adamantyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C14H21N3S/c1-2-15-13-17-16-12(18-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3,(H,15,17)
InChIKeyZCOJTMSZPQDZGM-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-adamantyl)-N-ethyl-1,3,4-thiadiazol-2-amine (CID 10378089) is 5-(1-adamantyl)-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-adamantyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-adamantyl)-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(C23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of 5-(1-adamantyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZCOJTMSZPQDZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-2-15-13-17-16-12(18-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3,(H,15,17).
What are the key properties of 5-(1-adamantyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
5-(1-adamantyl)-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 10378089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).