5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine

C12H15N3O2S — CID 7141579

IUPAC5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCOc1ccc(-c2nnc(N)s2)c(OCC)c1
InChIInChI=1S/C12H15N3O2S/c1-3-16-8-5-6-9(10(7-8)17-4-2)11-14-15-12(13)18-11/h5-7H,3-4H2,1-2H3,(H2,13,15)
InChIKeyGBEGUKWTZHDMAL-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.58
Rot. Bonds5

About 5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine

5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 7141579) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID7141579
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCOc1ccc(-c2nnc(N)s2)c(OCC)c1
InChIInChI=1S/C12H15N3O2S/c1-3-16-8-5-6-9(10(7-8)17-4-2)11-14-15-12(13)18-11/h5-7H,3-4H2,1-2H3,(H2,13,15)
InChIKeyGBEGUKWTZHDMAL-UHFFFAOYSA-N
XLogP2.58
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 22713200
5-(2,4-diethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 15129059
2,4-diethoxy-1-phenylbenzene
CID 132889855
5-(2,4-diethoxyphenyl)-3-methyl-1,2-oxazole
CID 169499042
2-ethoxy-4-propoxyaniline
CID 63677806
2,4-diethoxybenzamide
CID 17145726
2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4011039
5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 83662420
5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine
CID 84616743
N-[5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-ethoxybenzamide
CID 7096036
2-(2,4-diethoxyphenyl)-1-methyl-4,5-dihydroimidazole
CID 110540242
2-ethoxy-4-pentoxyaniline
CID 63678215

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 7141579) is 5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine is CCOc1ccc(-c2nnc(N)s2)c(OCC)c1.
What is the InChIKey of 5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GBEGUKWTZHDMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-16-8-5-6-9(10(7-8)17-4-2)11-14-15-12(13)18-11/h5-7H,3-4H2,1-2H3,(H2,13,15).
What are the key properties of 5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 265.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 7141579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).