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

C12H16N4S — CID 79818210

IUPAC6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine
SMILESCC(C)(C)c1csc(Cc2ccc(N)nn2)n1
InChIInChI=1S/C12H16N4S/c1-12(2,3)9-7-17-11(14-9)6-8-4-5-10(13)16-15-8/h4-5,7H,6H2,1-3H3,(H2,13,16)
InChIKeyJTEYZWRAGHTNLQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.40
Rot. Bonds2

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

6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine (PubChem CID 79818210) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine
PubChem CID79818210
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine
SMILESCC(C)(C)c1csc(Cc2ccc(N)nn2)n1
InChIInChI=1S/C12H16N4S/c1-12(2,3)9-7-17-11(14-9)6-8-4-5-10(13)16-15-8/h4-5,7H,6H2,1-3H3,(H2,13,16)
InChIKeyJTEYZWRAGHTNLQ-UHFFFAOYSA-N
XLogP2.40
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylpyridazin-3-amine
CID 79816691
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpyridin-3-amine
CID 114049656
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline
CID 79817942
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methylpyridin-2-amine
CID 79817297
4-tert-butyl-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)methyl]-1,3-thiazole
CID 79817756
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 79817008
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine
CID 79817396
4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]thiadiazole
CID 2739454
2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole
CID 113415601
1-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methylphenyl)propan-2-amine
CID 79820171
1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 106695410
N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 79816956

Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine?
The IUPAC name of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine (CID 79818210) is 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine is CC(C)(C)c1csc(Cc2ccc(N)nn2)n1.
What is the InChIKey of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine?
The InChIKey is JTEYZWRAGHTNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-12(2,3)9-7-17-11(14-9)6-8-4-5-10(13)16-15-8/h4-5,7H,6H2,1-3H3,(H2,13,16).
What are the key properties of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine?
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine has a molecular weight of 248.35 g/mol, XLogP of 2.40, 2 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]pyridazin-3-amine is sourced from PubChem (CID 79818210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).