1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one

C9H8ClN3OS — CID 60876232

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1Cc1nnsc1Cl
InChIInChI=1S/C9H8ClN3OS/c1-6-3-2-4-8(14)13(6)5-7-9(10)15-12-11-7/h2-4H,5H2,1H3
InChIKeyBDMBXLSYFNGQLN-UHFFFAOYSA-N
MW241.70 g/mol
LogP1.71
Rot. Bonds2

About 1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one

1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one (PubChem CID 60876232) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one
PubChem CID60876232
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1Cc1nnsc1Cl
InChIInChI=1S/C9H8ClN3OS/c1-6-3-2-4-8(14)13(6)5-7-9(10)15-12-11-7/h2-4H,5H2,1H3
InChIKeyBDMBXLSYFNGQLN-UHFFFAOYSA-N
XLogP1.71
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-Chlorothiadiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 55027503
1-[(5-Chlorothiadiazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319401
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-nitropyridin-2-one
CID 33757382
1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 38867309
1-[(5-Chlorothiadiazol-4-yl)methyl]pyridin-2-one
CID 43407902
5-Bromo-1-[(5-chlorothiadiazol-4-yl)methyl]pyridin-2-one
CID 43408008
3-[(5-Chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 61225132
1-[(5-Chlorothiadiazol-4-yl)methyl]-3-nitropyridin-2-one
CID 62101792
1-[(5-Aminothiadiazol-4-yl)methyl]-6-methylpyridin-2-one
CID 62208026
1-[(5-Chlorothiadiazol-4-yl)methyl]-4-methylpyridin-2-one
CID 62962855
1-[(5-Chlorothiadiazol-4-yl)methyl]-3-methylpyridin-2-one
CID 63172775
3-[(5-Chlorothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63769012

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one (CID 60876232) is 1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1Cc1nnsc1Cl.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one?
The InChIKey is BDMBXLSYFNGQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c1-6-3-2-4-8(14)13(6)5-7-9(10)15-12-11-7/h2-4H,5H2,1H3.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one?
1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one has a molecular weight of 241.70 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one is sourced from PubChem (CID 60876232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).