N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine

C13H15N3OS — CID 107648480

IUPACN-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc2c(c1)C(Nc1nnc(C)s1)CC2
InChIInChI=1S/C13H15N3OS/c1-8-15-16-13(18-8)14-12-6-4-9-3-5-10(17-2)7-11(9)12/h3,5,7,12H,4,6H2,1-2H3,(H,14,16)
InChIKeyZDRDTGXBYMVGDU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.95
Rot. Bonds3

About N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine

N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648480) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID107648480
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc2c(c1)C(Nc1nnc(C)s1)CC2
InChIInChI=1S/C13H15N3OS/c1-8-15-16-13(18-8)14-12-6-4-9-3-5-10(17-2)7-11(9)12/h3,5,7,12H,4,6H2,1-2H3,(H,14,16)
InChIKeyZDRDTGXBYMVGDU-UHFFFAOYSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 103725185
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine
CID 107648939
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
6-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79366862
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-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-2-methylpyridin-3-amine
CID 79367060
6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79370051
N-(2-bromo-5-methylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82762030
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-(2,6-dichloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 83078051

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 107648480) is N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine is COc1ccc2c(c1)C(Nc1nnc(C)s1)CC2.
What is the InChIKey of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZDRDTGXBYMVGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-15-16-13(18-8)14-12-6-4-9-3-5-10(17-2)7-11(9)12/h3,5,7,12H,4,6H2,1-2H3,(H,14,16).
What are the key properties of N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 261.35 g/mol, XLogP of 2.95, 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)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).