5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine

C13H18N6S — CID 167281520

IUPAC5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine
SMILESCNc1nnc(NC2CCC(c3cccnn3)CC2)s1
InChIInChI=1S/C13H18N6S/c1-14-12-18-19-13(20-12)16-10-6-4-9(5-7-10)11-3-2-8-15-17-11/h2-3,8-10H,4-7H2,1H3,(H,14,18)(H,16,19)
InChIKeyKMQDECAVAZAYCT-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.51
Rot. Bonds4

About 5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine

5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine (PubChem CID 167281520) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine
PubChem CID167281520
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine
SMILESCNc1nnc(NC2CCC(c3cccnn3)CC2)s1
InChIInChI=1S/C13H18N6S/c1-14-12-18-19-13(20-12)16-10-6-4-9(5-7-10)11-3-2-8-15-17-11/h2-3,8-10H,4-7H2,1H3,(H,14,18)(H,16,19)
InChIKeyKMQDECAVAZAYCT-UHFFFAOYSA-N
XLogP2.51
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine (CID 167281520) is 5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine is CNc1nnc(NC2CCC(c3cccnn3)CC2)s1.
What is the InChIKey of 5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is KMQDECAVAZAYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-14-12-18-19-13(20-12)16-10-6-4-9(5-7-10)11-3-2-8-15-17-11/h2-3,8-10H,4-7H2,1H3,(H,14,18)(H,16,19).
What are the key properties of 5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine?
5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 290.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-2-N-(4-pyridazin-3-ylcyclohexyl)-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 167281520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).