6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine

C14H20N4S — CID 79816691

IUPAC6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine
SMILESCCNc1ccc(Cc2nc(C(C)(C)C)cs2)nn1
InChIInChI=1S/C14H20N4S/c1-5-15-12-7-6-10(17-18-12)8-13-16-11(9-19-13)14(2,3)4/h6-7,9H,5,8H2,1-4H3,(H,15,18)
InChIKeyWFNMCKFWFLOHII-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.25
Rot. Bonds4

About 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine

6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine (PubChem CID 79816691) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine.

Molecular Properties

Compound Name6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine
PubChem CID79816691
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine
SMILESCCNc1ccc(Cc2nc(C(C)(C)C)cs2)nn1
InChIInChI=1S/C14H20N4S/c1-5-15-12-7-6-10(17-18-12)8-13-16-11(9-19-13)14(2,3)4/h6-7,9H,5,8H2,1-4H3,(H,15,18)
InChIKeyWFNMCKFWFLOHII-UHFFFAOYSA-N
XLogP3.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine?
The IUPAC name of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine (CID 79816691) is 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine.
What is the SMILES notation for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine?
The canonical SMILES for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine is CCNc1ccc(Cc2nc(C(C)(C)C)cs2)nn1.
What is the InChIKey of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine?
The InChIKey is WFNMCKFWFLOHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-5-15-12-7-6-10(17-18-12)8-13-16-11(9-19-13)14(2,3)4/h6-7,9H,5,8H2,1-4H3,(H,15,18).
What are the key properties of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine?
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine has a molecular weight of 276.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine is sourced from PubChem (CID 79816691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).