5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine

C16H15N3OS — CID 22713200

IUPAC5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESCCOc1ccc(-c2ccc(-c3nnc(N)s3)cc2)cc1
InChIInChI=1S/C16H15N3OS/c1-2-20-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15-18-19-16(17)21-15/h3-10H,2H2,1H3,(H2,17,19)
InChIKeyKJMBZFMTFIHGPZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.85
Rot. Bonds4

About 5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine

5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 22713200) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID22713200
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESCCOc1ccc(-c2ccc(-c3nnc(N)s3)cc2)cc1
InChIInChI=1S/C16H15N3OS/c1-2-20-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15-18-19-16(17)21-15/h3-10H,2H2,1H3,(H2,17,19)
InChIKeyKJMBZFMTFIHGPZ-UHFFFAOYSA-N
XLogP3.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine
CID 84616743
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 7141579
5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine
CID 114520379
2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole
CID 54183206
5-[4-(3-azidopropoxy)phenyl]-1,3,4-thiadiazol-2-amine
CID 59154562
5-[4-[ethyl(propyl)amino]phenyl]-1,3,4-thiadiazol-2-amine
CID 76850717
2,5-bis(4-ethoxyphenyl)thiophene
CID 154402016
5-[4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 59416740
4-ethoxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100727124
2-amino-5-(4-ethoxyphenyl)benzenethiol
CID 139776815
2-chloro-4-(4-ethoxyphenyl)aniline
CID 107607643

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine (CID 22713200) is 5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine is CCOc1ccc(-c2ccc(-c3nnc(N)s3)cc2)cc1.
What is the InChIKey of 5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KJMBZFMTFIHGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-2-20-14-9-7-12(8-10-14)11-3-5-13(6-4-11)15-18-19-16(17)21-15/h3-10H,2H2,1H3,(H2,17,19).
What are the key properties of 5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine?
5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 297.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 22713200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).