N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine

C13H15N3S — CID 107648886

IUPACN-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCC(Nc2nncs2)c2ccccc21
InChIInChI=1S/C13H15N3S/c1-9-6-7-12(15-13-16-14-8-17-13)11-5-3-2-4-10(9)11/h2-5,8-9,12H,6-7H2,1H3,(H,15,16)
InChIKeyVRYTUCUSRUXFGN-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.59
Rot. Bonds2

About N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine

N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648886) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
PubChem CID107648886
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
SMILESCC1CCC(Nc2nncs2)c2ccccc21
InChIInChI=1S/C13H15N3S/c1-9-6-7-12(15-13-16-14-8-17-13)11-5-3-2-4-10(9)11/h2-5,8-9,12H,6-7H2,1H3,(H,15,16)
InChIKeyVRYTUCUSRUXFGN-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine (CID 107648886) is N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine is CC1CCC(Nc2nncs2)c2ccccc21.
What is the InChIKey of N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VRYTUCUSRUXFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-6-7-12(15-13-16-14-8-17-13)11-5-3-2-4-10(9)11/h2-5,8-9,12H,6-7H2,1H3,(H,15,16).
What are the key properties of N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine?
N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 245.35 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).