5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine

C13H17N5S — CID 163825540

IUPAC5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CC2CCC(c3cccnn3)CC2)s1
InChIInChI=1S/C13H17N5S/c14-13-18-17-12(19-13)8-9-3-5-10(6-4-9)11-2-1-7-15-16-11/h1-2,7,9-10H,3-6,8H2,(H2,14,18)
InChIKeyBWFKYHFYTFOSBS-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.43
Rot. Bonds3

About 5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine

5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 163825540) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID163825540
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CC2CCC(c3cccnn3)CC2)s1
InChIInChI=1S/C13H17N5S/c14-13-18-17-12(19-13)8-9-3-5-10(6-4-9)11-2-1-7-15-16-11/h1-2,7,9-10H,3-6,8H2,(H2,14,18)
InChIKeyBWFKYHFYTFOSBS-UHFFFAOYSA-N
XLogP2.43
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(4-pyridazin-3-ylcyclohexyl)methyl]-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 5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine (CID 163825540) is 5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CC2CCC(c3cccnn3)CC2)s1.
What is the InChIKey of 5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BWFKYHFYTFOSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c14-13-18-17-12(19-13)8-9-3-5-10(6-4-9)11-2-1-7-15-16-11/h1-2,7,9-10H,3-6,8H2,(H2,14,18).
What are the key properties of 5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine?
5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 275.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 163825540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).