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

C16H13N7OS2 — CID 7190888

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)n1
InChIInChI=1S/C16H13N7OS2/c1-10-8-26-16(18-10)19-13(24)9-25-14-3-2-12-20-21-15(23(12)22-14)11-4-6-17-7-5-11/h2-8H,9H2,1H3,(H,18,19,24)
InChIKeyTYSJDLJCTIMZDZ-UHFFFAOYSA-N
MW383.46 g/mol
LogP2.68
Rot. Bonds5

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

N-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 7190888) has the molecular formula C16H13N7OS2 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
PubChem CID7190888
Molecular FormulaC16H13N7OS2
Molecular Weight383.46 g/mol
Exact Mass383.06
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
SMILESCc1csc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)n1
InChIInChI=1S/C16H13N7OS2/c1-10-8-26-16(18-10)19-13(24)9-25-14-3-2-12-20-21-15(23(12)22-14)11-4-6-17-7-5-11/h2-8H,9H2,1H3,(H,18,19,24)
InChIKeyTYSJDLJCTIMZDZ-UHFFFAOYSA-N
XLogP2.68
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 7190888) is N-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is Cc1csc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
The InChIKey is TYSJDLJCTIMZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7OS2/c1-10-8-26-16(18-10)19-13(24)9-25-14-3-2-12-20-21-15(23(12)22-14)11-4-6-17-7-5-11/h2-8H,9H2,1H3,(H,18,19,24).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 383.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-[(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 7190888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).