2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole

C17H17N3S2 — CID 7207543

IUPAC2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2ccc(SCc3ccccc3C)nn2)s1
InChIInChI=1S/C17H17N3S2/c1-11-6-4-5-7-14(11)10-21-16-9-8-15(19-20-16)17-12(2)18-13(3)22-17/h4-9H,10H2,1-3H3
InChIKeySTPHINHQVXOYAH-UHFFFAOYSA-N
MW327.48 g/mol
LogP4.82
Rot. Bonds4

About 2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole

2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole (PubChem CID 7207543) has the molecular formula C17H17N3S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole
PubChem CID7207543
Molecular FormulaC17H17N3S2
Molecular Weight327.48 g/mol
Exact Mass327.09
IUPAC Name2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2ccc(SCc3ccccc3C)nn2)s1
InChIInChI=1S/C17H17N3S2/c1-11-6-4-5-7-14(11)10-21-16-9-8-15(19-20-16)17-12(2)18-13(3)22-17/h4-9H,10H2,1-3H3
InChIKeySTPHINHQVXOYAH-UHFFFAOYSA-N
XLogP4.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole (CID 7207543) is 2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole is Cc1nc(C)c(-c2ccc(SCc3ccccc3C)nn2)s1.
What is the InChIKey of 2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole?
The InChIKey is STPHINHQVXOYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S2/c1-11-6-4-5-7-14(11)10-21-16-9-8-15(19-20-16)17-12(2)18-13(3)22-17/h4-9H,10H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole?
2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole has a molecular weight of 327.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[6-[(2-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole is sourced from PubChem (CID 7207543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).