4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole

C15H18N6S — CID 126910391

IUPAC4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCC(c3nnc4ccc(C)nn34)CC2)n1
InChIInChI=1S/C15H18N6S/c1-10-3-4-13-17-18-14(21(13)19-10)12-5-7-20(8-6-12)15-16-11(2)9-22-15/h3-4,9,12H,5-8H2,1-2H3
InChIKeyRTCRPJYDKFWXTD-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.58
Rot. Bonds2

About 4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole

4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole (PubChem CID 126910391) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole
PubChem CID126910391
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCC(c3nnc4ccc(C)nn34)CC2)n1
InChIInChI=1S/C15H18N6S/c1-10-3-4-13-17-18-14(21(13)19-10)12-5-7-20(8-6-12)15-16-11(2)9-22-15/h3-4,9,12H,5-8H2,1-2H3
InChIKeyRTCRPJYDKFWXTD-UHFFFAOYSA-N
XLogP2.58
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole
CID 126913291
2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5-dimethyl-1,3-thiazole
CID 126911792
2-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-4,5-dimethyl-1,3-thiazole
CID 126912785
2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 126912392
1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carbaldehyde
CID 62663442
[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine
CID 79525077
1-cyclopropyl-3-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
CID 126910396
[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 126910021
6-fluoro-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-benzoxazole
CID 126910409
6-methyl-3-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910135
3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 126910227
2-[4-(bromomethyl)piperidin-1-yl]-4-methyl-1,3-thiazole
CID 80668941

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole (CID 126910391) is 4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole is Cc1csc(N2CCC(c3nnc4ccc(C)nn34)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole?
The InChIKey is RTCRPJYDKFWXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-10-3-4-13-17-18-14(21(13)19-10)12-5-7-20(8-6-12)15-16-11(2)9-22-15/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of 4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole?
4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole has a molecular weight of 314.42 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 126910391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).