5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine

C14H19N5S — CID 163913829

IUPAC5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnnc(C2CCC(Cc3nnc(N)s3)CC2)c1
InChIInChI=1S/C14H19N5S/c1-9-6-12(17-16-8-9)11-4-2-10(3-5-11)7-13-18-19-14(15)20-13/h6,8,10-11H,2-5,7H2,1H3,(H2,15,19)
InChIKeyZQBNEWWQCKNLLH-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.74
Rot. Bonds3

About 5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine

5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 163913829) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID163913829
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnnc(C2CCC(Cc3nnc(N)s3)CC2)c1
InChIInChI=1S/C14H19N5S/c1-9-6-12(17-16-8-9)11-4-2-10(3-5-11)7-13-18-19-14(15)20-13/h6,8,10-11H,2-5,7H2,1H3,(H2,15,19)
InChIKeyZQBNEWWQCKNLLH-UHFFFAOYSA-N
XLogP2.74
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine (CID 163913829) is 5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine is Cc1cnnc(C2CCC(Cc3nnc(N)s3)CC2)c1.
What is the InChIKey of 5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZQBNEWWQCKNLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-9-6-12(17-16-8-9)11-4-2-10(3-5-11)7-13-18-19-14(15)20-13/h6,8,10-11H,2-5,7H2,1H3,(H2,15,19).
What are the key properties of 5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine?
5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 289.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5-methylpyridazin-3-yl)cyclohexyl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 163913829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).