3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine

C18H19N3O3S2 — CID 133428386

IUPAC3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)n1
InChIInChI=1S/C18H19N3O3S2/c1-3-17-20-18(25-21-17)19-13-9-11-14(12-10-13)24-15-7-5-6-8-16(15)26(22,23)4-2/h5-12H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyQJGDIYWOHRUFJS-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.43
Rot. Bonds7

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

3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133428386) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine
PubChem CID133428386
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)n1
InChIInChI=1S/C18H19N3O3S2/c1-3-17-20-18(25-21-17)19-13-9-11-14(12-10-13)24-15-7-5-6-8-16(15)26(22,23)4-2/h5-12H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyQJGDIYWOHRUFJS-UHFFFAOYSA-N
XLogP4.43
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopropyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine
CID 133428381
1-ethylsulfonyl-2-phenoxybenzene
CID 122651417
N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119813180
2-amino-N-[4-(2-ethylsulfonylphenoxy)phenyl]pentanamide;hydrochloride
CID 119340507
N-[4-(chloromethyl)phenyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277527
N-[4-(2-ethylsulfonylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119813191
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2-methoxybenzoic acid
CID 107208965
N-[4-(2-ethylsulfonylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 119340504
N-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethyl]benzenesulfonamide
CID 133335037
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 133425544
2-chloro-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]benzoic acid
CID 65272830
3-(2-ethylsulfonylphenoxy)benzoic acid
CID 61395540

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine (CID 133428386) is 3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(Nc2ccc(Oc3ccccc3S(=O)(=O)CC)cc2)n1.
What is the InChIKey of 3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is QJGDIYWOHRUFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-3-17-20-18(25-21-17)19-13-9-11-14(12-10-13)24-15-7-5-6-8-16(15)26(22,23)4-2/h5-12H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of 3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 389.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[4-(2-ethylsulfonylphenoxy)phenyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133428386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).