5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole

C12H11ClN2S — CID 65266685

IUPAC5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
SMILESClc1nc(C2CCCc3ccccc32)ns1
InChIInChI=1S/C12H11ClN2S/c13-12-14-11(15-16-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2
InChIKeyHTIHCMIDZFQUKU-UHFFFAOYSA-N
MW250.75 g/mol
LogP3.66
Rot. Bonds1

About 5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole

5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole (PubChem CID 65266685) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
PubChem CID65266685
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Name5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole
SMILESClc1nc(C2CCCc3ccccc32)ns1
InChIInChI=1S/C12H11ClN2S/c13-12-14-11(15-16-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2
InChIKeyHTIHCMIDZFQUKU-UHFFFAOYSA-N
XLogP3.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602
4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 63611983
1-cyclopropyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64667286
5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 66293143
5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
CID 129369108
5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 103977518
5-piperidin-4-yl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
CID 63247056
(1S)-2-methyl-1-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104901605
4-(chloromethyl)-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 114245062
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191189
3-(chloromethyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
CID 55111257
4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole
CID 151034122

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole (CID 65266685) is 5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole is Clc1nc(C2CCCc3ccccc32)ns1.
What is the InChIKey of 5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole?
The InChIKey is HTIHCMIDZFQUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S/c13-12-14-11(15-16-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2.
What are the key properties of 5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole?
5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole has a molecular weight of 250.75 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 65266685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).