5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole

C13H14ClN3S — CID 166278684

IUPAC5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESClc1cccc(C2CCCCN2c2ncns2)c1
InChIInChI=1S/C13H14ClN3S/c14-11-5-3-4-10(8-11)12-6-1-2-7-17(12)13-15-9-16-18-13/h3-5,8-9,12H,1-2,6-7H2
InChIKeyNIVLEYBQKWJPSI-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.92
Rot. Bonds2

About 5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole

5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 166278684) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID166278684
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESClc1cccc(C2CCCCN2c2ncns2)c1
InChIInChI=1S/C13H14ClN3S/c14-11-5-3-4-10(8-11)12-6-1-2-7-17(12)13-15-9-16-18-13/h3-5,8-9,12H,1-2,6-7H2
InChIKeyNIVLEYBQKWJPSI-UHFFFAOYSA-N
XLogP3.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine
CID 84611002
5-[2-(1-bromopropan-2-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 164645088
(2R)-1-tert-butyl-2-(3-chlorophenyl)pyrrolidine
CID 157382871
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
CID 71176112
5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133369937
2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine
CID 84611001
2-(3-chlorophenyl)-1-(2-ethenylsulfonylethyl)piperidine
CID 138014984
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 60949572
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-pyrimidin-5-ylethanone
CID 166212254
(2R)-1-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)pyrrolidine
CID 71091289
(6-bromo-3-pyridinyl)-[2-(3-chlorophenyl)pyrrolidin-1-yl]methanone
CID 66463523
2-(3-chlorophenyl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79932641

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole (CID 166278684) is 5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole is Clc1cccc(C2CCCCN2c2ncns2)c1.
What is the InChIKey of 5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is NIVLEYBQKWJPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c14-11-5-3-4-10(8-11)12-6-1-2-7-17(12)13-15-9-16-18-13/h3-5,8-9,12H,1-2,6-7H2.
What are the key properties of 5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole?
5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 279.80 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chlorophenyl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 166278684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).