4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine

C17H27N3S — CID 91139724

IUPAC4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine
SMILESCCC(C)CCc1nnc(CC(C)(C)CC)c2ncsc12
InChIInChI=1S/C17H27N3S/c1-6-12(3)8-9-13-16-15(18-11-21-16)14(20-19-13)10-17(4,5)7-2/h11-12H,6-10H2,1-5H3
InChIKeyGYRGXCUJTDZSQF-UHFFFAOYSA-N
MW305.49 g/mol
LogP5.04
Rot. Bonds7

About 4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine

4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine (PubChem CID 91139724) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine
PubChem CID91139724
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine
SMILESCCC(C)CCc1nnc(CC(C)(C)CC)c2ncsc12
InChIInChI=1S/C17H27N3S/c1-6-12(3)8-9-13-16-15(18-11-21-16)14(20-19-13)10-17(4,5)7-2/h11-12H,6-10H2,1-5H3
InChIKeyGYRGXCUJTDZSQF-UHFFFAOYSA-N
XLogP5.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.49
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-tert-butyl-4-ethyl-[1,3]thiazolo[5,4-c]pyridine
CID 91236238
2-methyl-5-(3-methylpentyl)-1,3-thiazole
CID 90806194
2-(3-methylpentyl)pyrimidine
CID 57256204
4-(2,2-dimethylpropyl)-7-methyl-1,3-benzothiazole
CID 91353241
3,3,5,7-tetramethylnonane
CID 57490983
N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62531100
4,5-diheptyl-[1,3]thiazolo[4,5-g][1,3]benzothiazole
CID 67513422
5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine
CID 43674821
3,3,8-trimethyl-5-propyldecane
CID 142826348
3,6,9-trimethylundecan-6-amine
CID 90972549
4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole
CID 164784593
7-(2,2-dimethylpropyl)-[1,3]thiazolo[4,5-c]pyridine
CID 175626724

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine?
The IUPAC name of 4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine (CID 91139724) is 4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine.
What is the SMILES notation for 4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine?
The canonical SMILES for 4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine is CCC(C)CCc1nnc(CC(C)(C)CC)c2ncsc12.
What is the InChIKey of 4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine?
The InChIKey is GYRGXCUJTDZSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-6-12(3)8-9-13-16-15(18-11-21-16)14(20-19-13)10-17(4,5)7-2/h11-12H,6-10H2,1-5H3.
What are the key properties of 4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine?
4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine has a molecular weight of 305.49 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutyl)-7-(3-methylpentyl)-[1,3]thiazolo[4,5-d]pyridazine is sourced from PubChem (CID 91139724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).