3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine

C16H17N3OS — CID 133352580

IUPAC3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NC(C)c2ccc3ccccc3c2)n1
InChIInChI=1S/C16H17N3OS/c1-11(17-16-18-15(10-20-2)19-21-16)13-8-7-12-5-3-4-6-14(12)9-13/h3-9,11H,10H2,1-2H3,(H,17,18,19)
InChIKeyIPLRXIRRARVCHF-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.01
Rot. Bonds5

About 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine

3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133352580) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133352580
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NC(C)c2ccc3ccccc3c2)n1
InChIInChI=1S/C16H17N3OS/c1-11(17-16-18-15(10-20-2)19-21-16)13-8-7-12-5-3-4-6-14(12)9-13/h3-9,11H,10H2,1-2H3,(H,17,18,19)
InChIKeyIPLRXIRRARVCHF-UHFFFAOYSA-N
XLogP4.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133369815
3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352605
N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133352584
5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 107648050
3-(methoxymethyl)-N-[phenyl(pyridin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133358155
4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol
CID 126774023
N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine
CID 78910611
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133369931
N-(1-naphthalen-2-ylethyl)thiophen-3-amine
CID 66351255
3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65274547
1-methoxy-N-(1-naphthalen-2-ylethyl)propan-2-amine
CID 43191837
2-methoxy-N-(1-naphthalen-2-ylethyl)acetamide
CID 43011314

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine (CID 133352580) is 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine is COCc1nsc(NC(C)c2ccc3ccccc3c2)n1.
What is the InChIKey of 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is IPLRXIRRARVCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11(17-16-18-15(10-20-2)19-21-16)13-8-7-12-5-3-4-6-14(12)9-13/h3-9,11H,10H2,1-2H3,(H,17,18,19).
What are the key properties of 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 299.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133352580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).