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

C9H9N3OS — CID 692882

IUPAC5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
InChIKeyUJBCFMCQLVRXBQ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.80
Rot. Bonds2

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

5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 692882) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID692882
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
InChIKeyUJBCFMCQLVRXBQ-UHFFFAOYSA-N
XLogP1.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.80
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-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 22713200
5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine
CID 114520379
5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 67236110
5-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 130052804
N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 857446
5-bromo-2-(4-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864276
5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 83662420
ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole
CID 177007601
2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 51370258
5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 3407778
5-[4-(3-azidopropoxy)phenyl]-1,3,4-thiadiazol-2-amine
CID 59154562

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 692882) is 5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine is COc1ccc(-c2nnc(N)s2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UJBCFMCQLVRXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12).
What are the key properties of 5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 207.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 692882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).