5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine

C17H16ClN5S — CID 78321675

IUPAC5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESCc1cnc(-c2cc(N3CCc4nsnc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C17H16ClN5S/c1-10-5-11(2)17(20-7-10)12-6-16(19-8-13(12)18)23-4-3-14-15(9-23)22-24-21-14/h5-8H,3-4,9H2,1-2H3
InChIKeyNKDRCHYZYBGNQF-UHFFFAOYSA-N
MW357.87 g/mol
LogP3.83
Rot. Bonds2

About 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine

5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine (PubChem CID 78321675) has the molecular formula C17H16ClN5S and a molecular weight of 357.87 g/mol. Its IUPAC name is 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine
PubChem CID78321675
Molecular FormulaC17H16ClN5S
Molecular Weight357.87 g/mol
Exact Mass357.08
IUPAC Name5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine
SMILESCc1cnc(-c2cc(N3CCc4nsnc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C17H16ClN5S/c1-10-5-11(2)17(20-7-10)12-6-16(19-8-13(12)18)23-4-3-14-15(9-23)22-24-21-14/h5-8H,3-4,9H2,1-2H3
InChIKeyNKDRCHYZYBGNQF-UHFFFAOYSA-N
XLogP3.83
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine?
The IUPAC name of 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine (CID 78321675) is 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine.
What is the SMILES notation for 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine?
The canonical SMILES for 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine is Cc1cnc(-c2cc(N3CCc4nsnc4C3)ncc2Cl)c(C)c1.
What is the InChIKey of 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine?
The InChIKey is NKDRCHYZYBGNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5S/c1-10-5-11(2)17(20-7-10)12-6-16(19-8-13(12)18)23-4-3-14-15(9-23)22-24-21-14/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine?
5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine has a molecular weight of 357.87 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,2,5]thiadiazolo[3,4-c]pyridine is sourced from PubChem (CID 78321675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).