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

C15H21N5S — CID 163812955

IUPAC5-[3-(4-pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCCC2CCC(c3cccnn3)CC2)s1
InChIInChI=1S/C15H21N5S/c16-15-20-19-14(21-15)5-1-3-11-6-8-12(9-7-11)13-4-2-10-17-18-13/h2,4,10-12H,1,3,5-9H2,(H2,16,20)
InChIKeyNOVXHINRFGZQBY-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.21
Rot. Bonds5

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

5-[3-(4-pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine (PubChem CID 163812955) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-[3-(4-pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(4-pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine
PubChem CID163812955
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name5-[3-(4-pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCCC2CCC(c3cccnn3)CC2)s1
InChIInChI=1S/C15H21N5S/c16-15-20-19-14(21-15)5-1-3-11-6-8-12(9-7-11)13-4-2-10-17-18-13/h2,4,10-12H,1,3,5-9H2,(H2,16,20)
InChIKeyNOVXHINRFGZQBY-UHFFFAOYSA-N
XLogP3.21
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine
CID 146202114
6-[[3-(5-Methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]pyridazin-3-amine
CID 146202165
5-[4-(6-benzyl-7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
CID 159314901
5-[4-(7H-cyclopenta[c]pyridazin-3-yl)butyl]-1,3,4-thiadiazol-2-amine
CID 160962196
2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine
CID 162702698
5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine
CID 167281520
5-Pyridazin-3-yl-1,3,4-thiadiazol-2-amine
CID 119085384
5-[(4-Pyridazin-3-ylcyclohexyl)methyl]-1,3,4-thiadiazol-2-amine
CID 163825540
5-[[4-(5-Methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine
CID 163913829

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[3-(4-pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine (CID 163812955) is 5-[3-(4-pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[3-(4-pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[3-(4-pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CCCC2CCC(c3cccnn3)CC2)s1.
What is the InChIKey of 5-[3-(4-pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NOVXHINRFGZQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c16-15-20-19-14(21-15)5-1-3-11-6-8-12(9-7-11)13-4-2-10-17-18-13/h2,4,10-12H,1,3,5-9H2,(H2,16,20).
What are the key properties of 5-[3-(4-pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine?
5-[3-(4-pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 303.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-pyridazin-3-ylcyclohexyl)propyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 163812955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).