N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine

C11H10ClN3S — CID 65277345

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine
SMILESClC1Cc2ccccc2C1Nc1ncns1
InChIInChI=1S/C11H10ClN3S/c12-9-5-7-3-1-2-4-8(7)10(9)15-11-13-6-14-16-11/h1-4,6,9-10H,5H2,(H,13,14,15)
InChIKeyPLEFLCHTDYPMAW-UHFFFAOYSA-N
MW251.74 g/mol
LogP2.85
Rot. Bonds2

About N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65277345) has the molecular formula C11H10ClN3S and a molecular weight of 251.74 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65277345
Molecular FormulaC11H10ClN3S
Molecular Weight251.74 g/mol
Exact Mass251.03
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine
SMILESClC1Cc2ccccc2C1Nc1ncns1
InChIInChI=1S/C11H10ClN3S/c12-9-5-7-3-1-2-4-8(7)10(9)15-11-13-6-14-16-11/h1-4,6,9-10H,5H2,(H,13,14,15)
InChIKeyPLEFLCHTDYPMAW-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-thiadiazol-5-amine
CID 130667392
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazol-5-amine
CID 65276359
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65028482
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine
CID 65028168
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine
CID 65028225
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyrimidin-4-amine
CID 65028479
3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
CID 114983465
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine
CID 115975685
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine
CID 65028581
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65028737
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine (CID 65277345) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine is ClC1Cc2ccccc2C1Nc1ncns1.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is PLEFLCHTDYPMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S/c12-9-5-7-3-1-2-4-8(7)10(9)15-11-13-6-14-16-11/h1-4,6,9-10H,5H2,(H,13,14,15).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 251.74 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).