5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole

C10H16ClN3S — CID 43408566

IUPAC5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole
SMILESCC1CC(C)CN(Cc2nnsc2Cl)C1
InChIInChI=1S/C10H16ClN3S/c1-7-3-8(2)5-14(4-7)6-9-10(11)15-13-12-9/h7-8H,3-6H2,1-2H3
InChIKeySFUIILRXKBXIQJ-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.67
Rot. Bonds2

About 5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole

5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole (PubChem CID 43408566) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole
PubChem CID43408566
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole
SMILESCC1CC(C)CN(Cc2nnsc2Cl)C1
InChIInChI=1S/C10H16ClN3S/c1-7-3-8(2)5-14(4-7)6-9-10(11)15-13-12-9/h7-8H,3-6H2,1-2H3
InChIKeySFUIILRXKBXIQJ-UHFFFAOYSA-N
XLogP2.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole (CID 43408566) is 5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole is CC1CC(C)CN(Cc2nnsc2Cl)C1.
What is the InChIKey of 5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole?
The InChIKey is SFUIILRXKBXIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-7-3-8(2)5-14(4-7)6-9-10(11)15-13-12-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole?
5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole has a molecular weight of 245.78 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 43408566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).