N-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

C18H17ClN4OS2 — CID 7207560

IUPACN-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(C)c(Cl)c3)nn2)s1
InChIInChI=1S/C18H17ClN4OS2/c1-10-4-5-13(8-14(10)19)21-16(24)9-25-17-7-6-15(22-23-17)18-11(2)20-12(3)26-18/h4-8H,9H2,1-3H3,(H,21,24)
InChIKeyRVHQBGFXQLYLIT-UHFFFAOYSA-N
MW404.95 g/mol
LogP4.91
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

N-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207560) has the molecular formula C18H17ClN4OS2 and a molecular weight of 404.95 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207560
Molecular FormulaC18H17ClN4OS2
Molecular Weight404.95 g/mol
Exact Mass404.05
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(C)c(Cl)c3)nn2)s1
InChIInChI=1S/C18H17ClN4OS2/c1-10-4-5-13(8-14(10)19)21-16(24)9-25-17-7-6-15(22-23-17)18-11(2)20-12(3)26-18/h4-8H,9H2,1-3H3,(H,21,24)
InChIKeyRVHQBGFXQLYLIT-UHFFFAOYSA-N
XLogP4.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.95
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207560) is N-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(C)c(Cl)c3)nn2)s1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is RVHQBGFXQLYLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS2/c1-10-4-5-13(8-14(10)19)21-16(24)9-25-17-7-6-15(22-23-17)18-11(2)20-12(3)26-18/h4-8H,9H2,1-3H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?
N-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 404.95 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).