4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine

C12H12ClN3S — CID 62316207

IUPAC4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1NC1CCc2ccccc2C1
InChIInChI=1S/C12H12ClN3S/c13-11-12(16-17-15-11)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H,14,16)
InChIKeyQNRILTGYQHWNLU-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.16
Rot. Bonds2

About 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine

4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine (PubChem CID 62316207) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine
PubChem CID62316207
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC Name4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine
SMILESClc1nsnc1NC1CCc2ccccc2C1
InChIInChI=1S/C12H12ClN3S/c13-11-12(16-17-15-11)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H,14,16)
InChIKeyQNRILTGYQHWNLU-UHFFFAOYSA-N
XLogP3.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine (CID 62316207) is 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine is Clc1nsnc1NC1CCc2ccccc2C1.
What is the InChIKey of 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine?
The InChIKey is QNRILTGYQHWNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S/c13-11-12(16-17-15-11)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H,14,16).
What are the key properties of 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine has a molecular weight of 265.77 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 62316207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).