N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine

C12H13N3OS — CID 107648939

IUPACN-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc2c(c1)C(Nc1nncs1)CC2
InChIInChI=1S/C12H13N3OS/c1-16-9-4-2-8-3-5-11(10(8)6-9)14-12-15-13-7-17-12/h2,4,6-7,11H,3,5H2,1H3,(H,14,15)
InChIKeyWQNBNLZCCQNUGX-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.65
Rot. Bonds3

About N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine

N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648939) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine
PubChem CID107648939
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc2c(c1)C(Nc1nncs1)CC2
InChIInChI=1S/C12H13N3OS/c1-16-9-4-2-8-3-5-11(10(8)6-9)14-12-15-13-7-17-12/h2,4,6-7,11H,3,5H2,1H3,(H,14,15)
InChIKeyWQNBNLZCCQNUGX-UHFFFAOYSA-N
XLogP2.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648480
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 103725185
6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79370051
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
2-methoxy-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
CID 79366034
6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 79367211
N-(2,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366302
N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 107572282
N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 83078051
N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366654
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylpyridin-3-amine
CID 79367060
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine (CID 107648939) is N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine is COc1ccc2c(c1)C(Nc1nncs1)CC2.
What is the InChIKey of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WQNBNLZCCQNUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-16-9-4-2-8-3-5-11(10(8)6-9)14-12-15-13-7-17-12/h2,4,6-7,11H,3,5H2,1H3,(H,14,15).
What are the key properties of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine?
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).