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

C14H21N3S — CID 107648069

IUPACN-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2C3CC4CC(C3)CC2C4)s1
InChIInChI=1S/C14H21N3S/c1-2-12-16-17-14(18-12)15-13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11,13H,2-7H2,1H3,(H,15,17)
InChIKeyRDXZDRAFZHFKGP-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.34
Rot. Bonds3

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

N-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648069) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107648069
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2C3CC4CC(C3)CC2C4)s1
InChIInChI=1S/C14H21N3S/c1-2-12-16-17-14(18-12)15-13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11,13H,2-7H2,1H3,(H,15,17)
InChIKeyRDXZDRAFZHFKGP-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107648069) is N-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NC2C3CC4CC(C3)CC2C4)s1.
What is the InChIKey of N-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RDXZDRAFZHFKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-2-12-16-17-14(18-12)15-13-10-4-8-3-9(6-10)7-11(13)5-8/h8-11,13H,2-7H2,1H3,(H,15,17).
What are the key properties of N-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
N-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 263.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).