N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine

C14H17N3OS — CID 103725185

IUPACN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc2c(c1)C(Nc1nnc(C)s1)CCC2
InChIInChI=1S/C14H17N3OS/c1-9-16-17-14(19-9)15-13-5-3-4-10-6-7-11(18-2)8-12(10)13/h6-8,13H,3-5H2,1-2H3,(H,15,17)
InChIKeyTWYBXDKABQZHOQ-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.34
Rot. Bonds3

About N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine

N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 103725185) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID103725185
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc2c(c1)C(Nc1nnc(C)s1)CCC2
InChIInChI=1S/C14H17N3OS/c1-9-16-17-14(19-9)15-13-5-3-4-10-6-7-11(18-2)8-12(10)13/h6-8,13H,3-5H2,1-2H3,(H,15,17)
InChIKeyTWYBXDKABQZHOQ-UHFFFAOYSA-N
XLogP3.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine with MolForge

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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-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,3,4-thiadiazol-2-amine
CID 107648939
7-methoxy-N-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239327
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpyridin-3-amine
CID 79248518
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 79239080
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
N-(2-fluoro-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79233981
N-(2-bromo-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79231811
N-(5-chloro-2-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230733
N-cyclohexyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239408
N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239496
5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
CID 133446267

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 103725185) is N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine is COc1ccc2c(c1)C(Nc1nnc(C)s1)CCC2.
What is the InChIKey of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is TWYBXDKABQZHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-16-17-14(19-9)15-13-5-3-4-10-6-7-11(18-2)8-12(10)13/h6-8,13H,3-5H2,1-2H3,(H,15,17).
What are the key properties of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 275.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103725185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).