5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole

C10H16ClN3S — CID 43625547

IUPAC5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole
SMILESCC1CCCC(C)N1Cc1nnsc1Cl
InChIInChI=1S/C10H16ClN3S/c1-7-4-3-5-8(2)14(7)6-9-10(11)15-13-12-9/h7-8H,3-6H2,1-2H3
InChIKeyWTHRKNVJDDXVSO-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.95
Rot. Bonds2

About 5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole

5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole (PubChem CID 43625547) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole
PubChem CID43625547
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole
SMILESCC1CCCC(C)N1Cc1nnsc1Cl
InChIInChI=1S/C10H16ClN3S/c1-7-4-3-5-8(2)14(7)6-9-10(11)15-13-12-9/h7-8H,3-6H2,1-2H3
InChIKeyWTHRKNVJDDXVSO-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine
CID 43408567
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcycloheptanamine
CID 43409288
1-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]-4,4-difluoropiperidine
CID 164657131
N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine
CID 47053953
1-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]piperidine
CID 1473724
4-[(5-chlorothiadiazol-4-yl)methyl]-N,N-diethylpiperazine-1-sulfonamide
CID 31690140
4-(Azepan-1-ylmethyl)-5-chlorothiadiazole
CID 43408454
5-Chloro-4-[(4-methylpiperazin-1-yl)methyl]thiadiazole
CID 43408455
N-[(5-chlorothiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine
CID 43408457
5-Chloro-4-[(4-ethylpiperazin-1-yl)methyl]thiadiazole
CID 43408474
5-Chloro-4-[(2-ethylpiperidin-1-yl)methyl]thiadiazole
CID 43408476
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine
CID 43408478

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole (CID 43625547) is 5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole is CC1CCCC(C)N1Cc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole?
The InChIKey is WTHRKNVJDDXVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-7-4-3-5-8(2)14(7)6-9-10(11)15-13-12-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole?
5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole has a molecular weight of 245.78 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2,6-dimethylpiperidin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 43625547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).