5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole

C14H22N4S — CID 98799712

IUPAC5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)n1
InChIInChI=1S/C14H22N4S/c1-10-15-14(19-16-10)18-6-4-17(5-7-18)13-9-11-2-3-12(13)8-11/h11-13H,2-9H2,1H3/t11-,12-,13-/m0/s1
InChIKeyOTQKUUYQBVFVEK-AVGNSLFASA-N
MW278.42 g/mol
LogP2.16
Rot. Bonds2

About 5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole

5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 98799712) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID98799712
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)n1
InChIInChI=1S/C14H22N4S/c1-10-15-14(19-16-10)18-6-4-17(5-7-18)13-9-11-2-3-12(13)8-11/h11-13H,2-9H2,1H3/t11-,12-,13-/m0/s1
InChIKeyOTQKUUYQBVFVEK-AVGNSLFASA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole with MolForge

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Related Compounds

5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 71863939
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chloro-2-pyridinyl)piperazine
CID 11630701
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133344309
1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
CID 2846385
5-[4-(fluoromethyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126790732
3-methyl-5-[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-1,2,4-thiadiazole
CID 56795622
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044
1-(3-methyl-1,2,4-thiadiazol-5-yl)-N,N-di(propan-2-yl)piperidin-4-amine
CID 59598889
5-(4-chloroazepan-1-yl)-3-methyl-1,2,4-thiadiazole
CID 127004433
4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 102563909
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]azepane
CID 10774159
5-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133334882

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole (CID 98799712) is 5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)n1.
What is the InChIKey of 5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is OTQKUUYQBVFVEK-AVGNSLFASA-N. The full InChI is InChI=1S/C14H22N4S/c1-10-15-14(19-16-10)18-6-4-17(5-7-18)13-9-11-2-3-12(13)8-11/h11-13H,2-9H2,1H3/t11-,12-,13-/m0/s1.
What are the key properties of 5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole?
5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 278.42 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 98799712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).