N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine

C15H19N3OS — CID 133416906

IUPACN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NCCC2Cc3ccccc3C2)n1
InChIInChI=1S/C15H19N3OS/c1-19-10-14-17-15(20-18-14)16-7-6-11-8-12-4-2-3-5-13(12)9-11/h2-5,11H,6-10H2,1H3,(H,16,17,18)
InChIKeyNFUFAXLXUCTSRT-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.90
Rot. Bonds6

About N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine

N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133416906) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133416906
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NCCC2Cc3ccccc3C2)n1
InChIInChI=1S/C15H19N3OS/c1-19-10-14-17-15(20-18-14)16-7-6-11-8-12-4-2-3-5-13(12)9-11/h2-5,11H,6-10H2,1H3,(H,16,17,18)
InChIKeyNFUFAXLXUCTSRT-UHFFFAOYSA-N
XLogP2.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

3-cyclopropyl-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133416956
(1S,2R)-1-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 133448027
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 133417009
N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65271632
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267594
N-(2-methoxyethyl)-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 65267766
N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 133387521
3-(methoxymethyl)-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 133383314
N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 133352147
3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65276112
3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352580
3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133358155

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine (CID 133416906) is N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine is COCc1nsc(NCCC2Cc3ccccc3C2)n1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NFUFAXLXUCTSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-19-10-14-17-15(20-18-14)16-7-6-11-8-12-4-2-3-5-13(12)9-11/h2-5,11H,6-10H2,1H3,(H,16,17,18).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 289.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133416906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).