N-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine

C13H17N3OS — CID 163348228

IUPACN-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(CCN(C)c2nc(C)ns2)cc1
InChIInChI=1S/C13H17N3OS/c1-10-14-13(18-15-10)16(2)9-8-11-4-6-12(17-3)7-5-11/h4-7H,8-9H2,1-3H3
InChIKeyRCXJDAXLHSZZJO-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.53
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine

N-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 163348228) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID163348228
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(CCN(C)c2nc(C)ns2)cc1
InChIInChI=1S/C13H17N3OS/c1-10-14-13(18-15-10)16(2)9-8-11-4-6-12(17-3)7-5-11/h4-7H,8-9H2,1-3H3
InChIKeyRCXJDAXLHSZZJO-UHFFFAOYSA-N
XLogP2.53
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine (CID 163348228) is N-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine is COc1ccc(CCN(C)c2nc(C)ns2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is RCXJDAXLHSZZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-14-13(18-15-10)16(2)9-8-11-4-6-12(17-3)7-5-11/h4-7H,8-9H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
N-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 263.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N,3-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 163348228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).