3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

C13H17N3OS — CID 65268111

IUPAC3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(-c2nsc(NCC(C)C)n2)c1
InChIInChI=1S/C13H17N3OS/c1-9(2)8-14-13-15-12(16-18-13)10-5-4-6-11(7-10)17-3/h4-7,9H,8H2,1-3H3,(H,14,15,16)
InChIKeyNFHSEGMUUOFFQJ-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.28
Rot. Bonds5

About 3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268111) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268111
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1cccc(-c2nsc(NCC(C)C)n2)c1
InChIInChI=1S/C13H17N3OS/c1-9(2)8-14-13-15-12(16-18-13)10-5-4-6-11(7-10)17-3/h4-7,9H,8H2,1-3H3,(H,14,15,16)
InChIKeyNFHSEGMUUOFFQJ-UHFFFAOYSA-N
XLogP3.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65268854
3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride
CID 75485647
5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole
CID 162444221
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
N-(2-methylpropyl)-3-pyrimidin-2-yl-1,2,4-thiadiazol-5-amine
CID 65269249
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133318374
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea
CID 126766209
3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268591
5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280523
N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 103400001
3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
CID 46342240
N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65269206

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 65268111) is 3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is COc1cccc(-c2nsc(NCC(C)C)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NFHSEGMUUOFFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(2)8-14-13-15-12(16-18-13)10-5-4-6-11(7-10)17-3/h4-7,9H,8H2,1-3H3,(H,14,15,16).
What are the key properties of 3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 263.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).