5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole

C9H14ClN3S — CID 65277628

IUPAC5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC(Cl)C2)n1
InChIInChI=1S/C9H14ClN3S/c1-2-8-11-9(14-12-8)13-5-3-4-7(10)6-13/h7H,2-6H2,1H3
InChIKeyRBOGVWTVDRSASI-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.31
Rot. Bonds2

About 5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole

5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole (PubChem CID 65277628) has the molecular formula C9H14ClN3S and a molecular weight of 231.75 g/mol. Its IUPAC name is 5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
PubChem CID65277628
Molecular FormulaC9H14ClN3S
Molecular Weight231.75 g/mol
Exact Mass231.06
IUPAC Name5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCCC(Cl)C2)n1
InChIInChI=1S/C9H14ClN3S/c1-2-8-11-9(14-12-8)13-5-3-4-7(10)6-13/h7H,2-6H2,1H3
InChIKeyRBOGVWTVDRSASI-UHFFFAOYSA-N
XLogP2.31
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.31
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

1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 65275986
5-[3-(bromomethyl)piperidin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 80673176
5-(4-bromoazepan-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 130774667
5-(3-bromopyrrolidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 80670014
(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718731
3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole
CID 125423818
5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole
CID 115314602
5-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-3-ethyl-1,2,4-thiadiazole
CID 124889064
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
5-(4-chloroazepan-1-yl)-3-methyl-1,2,4-thiadiazole
CID 127004433
N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine
CID 65276254
cyclopentyl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332977

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole (CID 65277628) is 5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole is CCc1nsc(N2CCCC(Cl)C2)n1.
What is the InChIKey of 5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole?
The InChIKey is RBOGVWTVDRSASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S/c1-2-8-11-9(14-12-8)13-5-3-4-7(10)6-13/h7H,2-6H2,1H3.
What are the key properties of 5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole?
5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole has a molecular weight of 231.75 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 65277628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).