5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole

C7H10ClN3S — CID 65277685

IUPAC5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole
SMILESClC1CCN(c2ncns2)CC1
InChIInChI=1S/C7H10ClN3S/c8-6-1-3-11(4-2-6)7-9-5-10-12-7/h5-6H,1-4H2
InChIKeyNFLRJOSGMSBUEQ-UHFFFAOYSA-N
MW203.70 g/mol
LogP1.75
Rot. Bonds1

About 5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole

5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole (PubChem CID 65277685) has the molecular formula C7H10ClN3S and a molecular weight of 203.70 g/mol. Its IUPAC name is 5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole
PubChem CID65277685
Molecular FormulaC7H10ClN3S
Molecular Weight203.70 g/mol
Exact Mass203.03
IUPAC Name5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole
SMILESClC1CCN(c2ncns2)CC1
InChIInChI=1S/C7H10ClN3S/c8-6-1-3-11(4-2-6)7-9-5-10-12-7/h5-6H,1-4H2
InChIKeyNFLRJOSGMSBUEQ-UHFFFAOYSA-N
XLogP1.75
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.70
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[3-(chloromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 65277809
2-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxyacetic acid
CID 65270887
3-[1-(1,2,4-thiadiazol-5-yl)piperidin-4-yl]oxypropanoic acid
CID 65270159
(3S,4R)-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 130742356
4-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-amine
CID 65270551
5-[(3R)-3-methylpiperazin-1-yl]-1,2,4-thiadiazole
CID 104976155
5-(3,5-dimethylpiperidin-1-yl)-1,2,4-thiadiazole
CID 89385947
[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanol
CID 65275221
2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
CID 131132017
3-methyl-1-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylic acid
CID 102776447
5-(3-piperazin-1-ylazetidin-1-yl)-1,2,4-thiadiazole
CID 66196214
2-[4-(1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetic acid
CID 65270203

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole (CID 65277685) is 5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole is ClC1CCN(c2ncns2)CC1.
What is the InChIKey of 5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole?
The InChIKey is NFLRJOSGMSBUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3S/c8-6-1-3-11(4-2-6)7-9-5-10-12-7/h5-6H,1-4H2.
What are the key properties of 5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole?
5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole has a molecular weight of 203.70 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloropiperidin-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 65277685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).