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

C17H15FN4OS2 — CID 42172364

IUPACN-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(SCc3ccc(F)cc3)nn2)s1
InChIInChI=1S/C17H15FN4OS2/c1-10-16(25-11(2)19-10)17(23)20-14-7-8-15(22-21-14)24-9-12-3-5-13(18)6-4-12/h3-8H,9H2,1-2H3,(H,20,21,23)
InChIKeyNUHFYOKESMCYLW-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.23
Rot. Bonds5

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

N-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 42172364) has the molecular formula C17H15FN4OS2 and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID42172364
Molecular FormulaC17H15FN4OS2
Molecular Weight374.47 g/mol
Exact Mass374.07
IUPAC NameN-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(SCc3ccc(F)cc3)nn2)s1
InChIInChI=1S/C17H15FN4OS2/c1-10-16(25-11(2)19-10)17(23)20-14-7-8-15(22-21-14)24-9-12-3-5-13(18)6-4-12/h3-8H,9H2,1-2H3,(H,20,21,23)
InChIKeyNUHFYOKESMCYLW-UHFFFAOYSA-N
XLogP4.23
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-((6-(2,4-dimethylthiazol-5-yl)pyridazin-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide
CID 7222625
2-(benzylthio)-N-(1-(4-(4-fluorophenyl)thiazol-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 25281893
3,4-difluoro-N-(3-methyl-1-(4-(thiophen-2-yl)thiazol-2-yl)-1H-pyrazol-5-yl)benzamide
CID 27477388
2-fluoro-N-(3-methyl-1-(4-(thiophen-2-yl)thiazol-2-yl)-1H-pyrazol-5-yl)benzamide
CID 42109164
3-fluoro-N-(6-((2-((4-methylthiazol-2-yl)amino)-2-oxoethyl)thio)pyridazin-3-yl)benzamide
CID 42138424
3-fluoro-N-(6-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)pyridazin-3-yl)benzamide
CID 42138426
2-fluoro-N-(6-((2-((4-methylthiazol-2-yl)amino)-2-oxoethyl)thio)pyridazin-3-yl)benzamide
CID 42139096
2-fluoro-N-(6-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)pyridazin-3-yl)benzamide
CID 42139099
4-fluoro-N-(6-((4-((4-methylthiazol-2-yl)amino)-4-oxobutyl)thio)pyridazin-3-yl)benzamide
CID 42173992
N-(6-benzylsulfanylpyridazin-3-yl)-4-propylthiadiazole-5-carboxamide
CID 171344598
N-(3-methyl-1-(4-phenylthiazol-2-yl)-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 25281575
N-(3-(6-(azepan-1-yl)pyridazin-3-yl)phenyl)-4-methyl-2-phenylthiazole-5-carboxamide
CID 41077821

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 42172364) is N-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(SCc3ccc(F)cc3)nn2)s1.
What is the InChIKey of N-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is NUHFYOKESMCYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS2/c1-10-16(25-11(2)19-10)17(23)20-14-7-8-15(22-21-14)24-9-12-3-5-13(18)6-4-12/h3-8H,9H2,1-2H3,(H,20,21,23).
What are the key properties of N-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42172364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).