N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide

C14H10N6OS3 — CID 7217655

IUPACN-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc2ccc(-c3cccs3)nn12)Nc1nccs1
InChIInChI=1S/C14H10N6OS3/c21-12(16-13-15-5-7-23-13)8-24-14-18-17-11-4-3-9(19-20(11)14)10-2-1-6-22-10/h1-7H,8H2,(H,15,16,21)
InChIKeyHGPCLMNZQUOKHA-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.04
Rot. Bonds5

About N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide

N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide (PubChem CID 7217655) has the molecular formula C14H10N6OS3 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
PubChem CID7217655
Molecular FormulaC14H10N6OS3
Molecular Weight374.48 g/mol
Exact Mass374.01
IUPAC NameN-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc2ccc(-c3cccs3)nn12)Nc1nccs1
InChIInChI=1S/C14H10N6OS3/c21-12(16-13-15-5-7-23-13)8-24-14-18-17-11-4-3-9(19-20(11)14)10-2-1-6-22-10/h1-7H,8H2,(H,15,16,21)
InChIKeyHGPCLMNZQUOKHA-UHFFFAOYSA-N
XLogP3.04
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide (CID 7217655) is N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide is O=C(CSc1nnc2ccc(-c3cccs3)nn12)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?
The InChIKey is HGPCLMNZQUOKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6OS3/c21-12(16-13-15-5-7-23-13)8-24-14-18-17-11-4-3-9(19-20(11)14)10-2-1-6-22-10/h1-7H,8H2,(H,15,16,21).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?
N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide has a molecular weight of 374.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7217655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).