N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide

C17H16N6O2S — CID 56761613

IUPACN-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
SMILESCOc1ccc2nnc(CCCC(=O)Nc3nc4ccccc4s3)n2n1
InChIInChI=1S/C17H16N6O2S/c1-25-16-10-9-14-21-20-13(23(14)22-16)7-4-8-15(24)19-17-18-11-5-2-3-6-12(11)26-17/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,18,19,24)
InChIKeyUKGFMIQZLYSHGM-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.70
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide

N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide (PubChem CID 56761613) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
PubChem CID56761613
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
SMILESCOc1ccc2nnc(CCCC(=O)Nc3nc4ccccc4s3)n2n1
InChIInChI=1S/C17H16N6O2S/c1-25-16-10-9-14-21-20-13(23(14)22-16)7-4-8-15(24)19-17-18-11-5-2-3-6-12(11)26-17/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,18,19,24)
InChIKeyUKGFMIQZLYSHGM-UHFFFAOYSA-N
XLogP2.70
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-pyridin-3-ylbutanamide
CID 56761755
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 71703618
N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide
CID 53439401
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
4-(1,3-benzothiazol-2-yl)-N-(6-methoxy-3-pyridinyl)butanamide
CID 2472699
[6-[(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]carbamic acid
CID 87432124
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
prop-2-enyl 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate
CID 2304671
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 51284522
N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 44753805

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide (CID 56761613) is N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide is COc1ccc2nnc(CCCC(=O)Nc3nc4ccccc4s3)n2n1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The InChIKey is UKGFMIQZLYSHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-25-16-10-9-14-21-20-13(23(14)22-16)7-4-8-15(24)19-17-18-11-5-2-3-6-12(11)26-17/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,18,19,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide has a molecular weight of 368.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide is sourced from PubChem (CID 56761613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).