[5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine

C12H16N4S2 — CID 80514780

IUPAC[5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine
SMILESCCc1nnc(Sc2nccs2)c(CN)c1CC
InChIInChI=1S/C12H16N4S2/c1-3-8-9(7-13)11(16-15-10(8)4-2)18-12-14-5-6-17-12/h5-6H,3-4,7,13H2,1-2H3
InChIKeyPEXPKMJGMPOWGJ-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.67
Rot. Bonds5

About [5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine

[5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine (PubChem CID 80514780) has the molecular formula C12H16N4S2 and a molecular weight of 280.42 g/mol. Its IUPAC name is [5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine
PubChem CID80514780
Molecular FormulaC12H16N4S2
Molecular Weight280.42 g/mol
Exact Mass280.08
IUPAC Name[5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine
SMILESCCc1nnc(Sc2nccs2)c(CN)c1CC
InChIInChI=1S/C12H16N4S2/c1-3-8-9(7-13)11(16-15-10(8)4-2)18-12-14-5-6-17-12/h5-6H,3-4,7,13H2,1-2H3
InChIKeyPEXPKMJGMPOWGJ-UHFFFAOYSA-N
XLogP2.67
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

[4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine
CID 61219519
[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanamine
CID 63756336
N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80886227
[2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine
CID 107552301
6-ethyl-4-(1,3-thiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103334605
2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80990587
[2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine
CID 55238883
2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18709066
5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886409
2-phenylsulfanyl-1,3-thiazole
CID 606073
2-methyl-5-(1,3-thiazol-2-ylsulfanyl)-1,3,4-thiadiazole
CID 18707717
2-ethyl-2-(1,3-thiazol-2-ylsulfanyl)butanoic acid
CID 114993374

Frequently Asked Questions

What is the IUPAC name of [5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine (CID 80514780) is [5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine is CCc1nnc(Sc2nccs2)c(CN)c1CC.
What is the InChIKey of [5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine?
The InChIKey is PEXPKMJGMPOWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S2/c1-3-8-9(7-13)11(16-15-10(8)4-2)18-12-14-5-6-17-12/h5-6H,3-4,7,13H2,1-2H3.
What are the key properties of [5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine?
[5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine has a molecular weight of 280.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-diethyl-3-(1,3-thiazol-2-ylsulfanyl)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80514780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).