1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile

C10H7ClN4OS — CID 75507386

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccn(Cc2nnsc2Cl)c(=O)c1C#N
InChIInChI=1S/C10H7ClN4OS/c1-6-2-3-15(10(16)7(6)4-12)5-8-9(11)17-14-13-8/h2-3H,5H2,1H3
InChIKeyUXWOPSLLSCZHKY-UHFFFAOYSA-N
MW266.71 g/mol
LogP1.58
Rot. Bonds2

About 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile

1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 75507386) has the molecular formula C10H7ClN4OS and a molecular weight of 266.71 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID75507386
Molecular FormulaC10H7ClN4OS
Molecular Weight266.71 g/mol
Exact Mass266.00
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccn(Cc2nnsc2Cl)c(=O)c1C#N
InChIInChI=1S/C10H7ClN4OS/c1-6-2-3-15(10(16)7(6)4-12)5-8-9(11)17-14-13-8/h2-3H,5H2,1H3
InChIKeyUXWOPSLLSCZHKY-UHFFFAOYSA-N
XLogP1.58
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile (CID 75507386) is 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile is Cc1ccn(Cc2nnsc2Cl)c(=O)c1C#N.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is UXWOPSLLSCZHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4OS/c1-6-2-3-15(10(16)7(6)4-12)5-8-9(11)17-14-13-8/h2-3H,5H2,1H3.
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile?
1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 266.71 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 75507386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).