2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

C16H16N4O2S2 — CID 7254192

IUPAC2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)NCc3ccco3)nn2)s1
InChIInChI=1S/C16H16N4O2S2/c1-10-16(24-11(2)18-10)13-5-6-15(20-19-13)23-9-14(21)17-8-12-4-3-7-22-12/h3-7H,8-9H2,1-2H3,(H,17,21)
InChIKeyLNFYRWXPPOEQGF-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.22
Rot. Bonds6

About 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 7254192) has the molecular formula C16H16N4O2S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID7254192
Molecular FormulaC16H16N4O2S2
Molecular Weight360.46 g/mol
Exact Mass360.07
IUPAC Name2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)NCc3ccco3)nn2)s1
InChIInChI=1S/C16H16N4O2S2/c1-10-16(24-11(2)18-10)13-5-6-15(20-19-13)23-9-14(21)17-8-12-4-3-7-22-12/h3-7H,8-9H2,1-2H3,(H,17,21)
InChIKeyLNFYRWXPPOEQGF-UHFFFAOYSA-N
XLogP3.22
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 7254192) is 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is Cc1nc(C)c(-c2ccc(SCC(=O)NCc3ccco3)nn2)s1.
What is the InChIKey of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LNFYRWXPPOEQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S2/c1-10-16(24-11(2)18-10)13-5-6-15(20-19-13)23-9-14(21)17-8-12-4-3-7-22-12/h3-7H,8-9H2,1-2H3,(H,17,21).
What are the key properties of 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 7254192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).