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

C12H15N3OS — CID 65269206

IUPACN-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(Cc2cccc(OC)c2)ns1
InChIInChI=1S/C12H15N3OS/c1-3-13-12-14-11(15-17-12)8-9-5-4-6-10(7-9)16-2/h4-7H,3,8H2,1-2H3,(H,13,14,15)
InChIKeyXSSBWYTWRRMCRH-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.57
Rot. Bonds5

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

N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65269206) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65269206
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(Cc2cccc(OC)c2)ns1
InChIInChI=1S/C12H15N3OS/c1-3-13-12-14-11(15-17-12)8-9-5-4-6-10(7-9)16-2/h4-7H,3,8H2,1-2H3,(H,13,14,15)
InChIKeyXSSBWYTWRRMCRH-UHFFFAOYSA-N
XLogP2.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxyphenyl)methyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 70975219
4-methoxy-N-[3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propyl]benzenesulfonamide
CID 59362047
4-methoxy-N-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]butan-2-yl]benzamide
CID 90685898
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65268124
N-ethyl-2-[(3-methoxyphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193116
N-[1-[[3-[(3-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]butan-2-yl]-4-methoxybenzenesulfonamide
CID 90953926
3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 65269198
3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65268749
5-[(3-methoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 13272863
N-cyclopropyl-1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide
CID 5027741
N-butan-2-yl-2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
CID 5116608
2-[4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-(2-methylpropyl)acetamide
CID 4016816

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 65269206) is N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine is CCNc1nc(Cc2cccc(OC)c2)ns1.
What is the InChIKey of N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is XSSBWYTWRRMCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-13-12-14-11(15-17-12)8-9-5-4-6-10(7-9)16-2/h4-7H,3,8H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine?
N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 249.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).