5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine

C12H16N4OS — CID 98017566

IUPAC5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCOc1ccc(Nc2nnc(CCN)s2)cc1
InChIInChI=1S/C12H16N4OS/c1-2-17-10-5-3-9(4-6-10)14-12-16-15-11(18-12)7-8-13/h3-6H,2,7-8,13H2,1H3,(H,14,16)
InChIKeyGVRLKIPTKIRCBP-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.18
Rot. Bonds6

About 5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine

5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 98017566) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID98017566
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCCOc1ccc(Nc2nnc(CCN)s2)cc1
InChIInChI=1S/C12H16N4OS/c1-2-17-10-5-3-9(4-6-10)14-12-16-15-11(18-12)7-8-13/h3-6H,2,7-8,13H2,1H3,(H,14,16)
InChIKeyGVRLKIPTKIRCBP-UHFFFAOYSA-N
XLogP2.18
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(4-ethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614512
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol
CID 58260849
4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine
CID 43426956
5-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methylsulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 123907368
5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 96663796
4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 13155729
5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 3321673
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 1420599
5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 3944918
N-(4-ethoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 677157
2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 1497789

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 98017566) is 5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine is CCOc1ccc(Nc2nnc(CCN)s2)cc1.
What is the InChIKey of 5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GVRLKIPTKIRCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-2-17-10-5-3-9(4-6-10)14-12-16-15-11(18-12)7-8-13/h3-6H,2,7-8,13H2,1H3,(H,14,16).
What are the key properties of 5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 98017566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).