N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine

C13H15N3S — CID 107649398

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine
SMILESCC(Nc1cnns1)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H15N3S/c1-9(15-13-8-14-16-17-13)11-6-5-10-3-2-4-12(10)7-11/h5-9,15H,2-4H2,1H3
InChIKeyFEQJMGCEFLPPLH-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.20
Rot. Bonds3

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine (PubChem CID 107649398) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine
PubChem CID107649398
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine
SMILESCC(Nc1cnns1)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H15N3S/c1-9(15-13-8-14-16-17-13)11-6-5-10-3-2-4-12(10)7-11/h5-9,15H,2-4H2,1H3
InChIKeyFEQJMGCEFLPPLH-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(9H-fluoren-2-yl)ethyl]thiadiazol-5-amine
CID 107649387
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiophen-3-amine
CID 66352791
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]pyridin-3-amine
CID 43200742
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylpyridin-3-amine
CID 63329546
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-propan-2-yl-2H-1,3,5-triazin-4-amine
CID 175727632
3,5-dichloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-fluoroaniline
CID 107572608
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-iodoaniline
CID 43124478
1-(2,3-dihydro-1H-inden-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281399
1-propan-2-yl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-pyrimidin-4-amine
CID 175742427
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-fluoro-4-methylaniline
CID 43096117

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine (CID 107649398) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine is CC(Nc1cnns1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine?
The InChIKey is FEQJMGCEFLPPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9(15-13-8-14-16-17-13)11-6-5-10-3-2-4-12(10)7-11/h5-9,15H,2-4H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine has a molecular weight of 245.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]thiadiazol-5-amine is sourced from PubChem (CID 107649398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).