4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine

C13H15N3OS — CID 114523366

IUPAC4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine
SMILESCCNc1nsnc1-c1cccc(OC2CC2)c1
InChIInChI=1S/C13H15N3OS/c1-2-14-13-12(15-18-16-13)9-4-3-5-11(8-9)17-10-6-7-10/h3-5,8,10H,2,6-7H2,1H3,(H,14,16)
InChIKeyAFUUQYZMJVIHML-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.18
Rot. Bonds5

About 4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine

4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine (PubChem CID 114523366) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine
PubChem CID114523366
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine
SMILESCCNc1nsnc1-c1cccc(OC2CC2)c1
InChIInChI=1S/C13H15N3OS/c1-2-14-13-12(15-18-16-13)9-4-3-5-11(8-9)17-10-6-7-10/h3-5,8,10H,2,6-7H2,1H3,(H,14,16)
InChIKeyAFUUQYZMJVIHML-UHFFFAOYSA-N
XLogP3.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-cyclopropyloxyphenyl)-N-ethyl-5-methylpyrimidin-4-amine
CID 114523373
2-(3-cyclopropyloxyphenyl)-N-ethylpyridin-4-amine
CID 102825016
6-(3-cyclopropyloxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 114523269
2-chloro-3-(3-cyclopropyloxyphenyl)pyrazine
CID 114523139
N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine
CID 114522593
1-[4-(3-cyclopropyloxyphenyl)phenyl]propan-1-one
CID 114522522
6-(3-cyclopropyloxyphenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106522233
N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888078
6-(3-cyclobutylphenyl)-N-ethyl-4,5-dimethylpyridazin-3-amine
CID 114607011
1-[2-(3-cyclopropyloxyphenyl)phenyl]-N-methylethanamine
CID 114522580
4-(3-cyclopropyloxyphenyl)-2-methylphenol
CID 114523617
4-(3-cyclopropyloxyphenyl)-1,3-thiazol-2-amine
CID 154668725

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine (CID 114523366) is 4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine is CCNc1nsnc1-c1cccc(OC2CC2)c1.
What is the InChIKey of 4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine?
The InChIKey is AFUUQYZMJVIHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-14-13-12(15-18-16-13)9-4-3-5-11(8-9)17-10-6-7-10/h3-5,8,10H,2,6-7H2,1H3,(H,14,16).
What are the key properties of 4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine?
4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine has a molecular weight of 261.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyloxyphenyl)-N-ethyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 114523366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).