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

C15H19N3OS — CID 107647860

IUPAC5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CCc3ccc(OC)cc3C2)s1
InChIInChI=1S/C15H19N3OS/c1-3-14-17-18-15(20-14)16-12-6-4-10-5-7-13(19-2)9-11(10)8-12/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,16,18)
InChIKeyXPBOJCATGNEICR-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.08
Rot. Bonds4

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

5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 107647860) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID107647860
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CCc3ccc(OC)cc3C2)s1
InChIInChI=1S/C15H19N3OS/c1-3-14-17-18-15(20-14)16-12-6-4-10-5-7-13(19-2)9-11(10)8-12/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,16,18)
InChIKeyXPBOJCATGNEICR-UHFFFAOYSA-N
XLogP3.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
N-(2-ethoxypropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115763357
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648480
N-(2,6-dibromophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107597292
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
N-(4-chloro-3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510381
N-(2-bromo-5-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 107633014
7-methoxy-N-(2-methoxyethoxy)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 82712669
7-methoxy-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510335
N-(3-fluoropropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 75441597
N-[(1S)-1-cyclohexylethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510632

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine (CID 107647860) is 5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine is CCc1nnc(NC2CCc3ccc(OC)cc3C2)s1.
What is the InChIKey of 5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XPBOJCATGNEICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-14-17-18-15(20-14)16-12-6-4-10-5-7-13(19-2)9-11(10)8-12/h5,7,9,12H,3-4,6,8H2,1-2H3,(H,16,18).
What are the key properties of 5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine?
5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 289.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).