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

C11H11N3OS — CID 114520379

IUPAC5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(OC3CC3)cc2)s1
InChIInChI=1S/C11H11N3OS/c12-11-14-13-10(16-11)7-1-3-8(4-2-7)15-9-5-6-9/h1-4,9H,5-6H2,(H2,12,14)
InChIKeyOJMVUWVQYUWGMN-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.33
Rot. Bonds3

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

5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114520379) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID114520379
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(OC3CC3)cc2)s1
InChIInChI=1S/C11H11N3OS/c12-11-14-13-10(16-11)7-1-3-8(4-2-7)15-9-5-6-9/h1-4,9H,5-6H2,(H2,12,14)
InChIKeyOJMVUWVQYUWGMN-UHFFFAOYSA-N
XLogP2.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 22713200
4-(4-cyclopropyloxyphenyl)aniline
CID 114519885
5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine
CID 84616743
methyl 4-[5-(4-cyclohexyloxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate
CID 20655660
5-(4-cyclopropyloxyphenyl)pyridin-2-amine
CID 114519908
3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine
CID 114520332
2-(4-cyclopentyloxyphenyl)pyrimidin-5-amine
CID 82299238
methyl 4-chloro-2-(4-cyclopropyloxyphenyl)-1,3-thiazole-5-carboxylate
CID 114520266
5-(4-morpholin-2-ylphenyl)-1,3,4-thiadiazol-2-amine
CID 70053658
5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline
CID 107593757
4-(4-cyclopropyloxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114520303

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine (CID 114520379) is 5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccc(OC3CC3)cc2)s1.
What is the InChIKey of 5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OJMVUWVQYUWGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c12-11-14-13-10(16-11)7-1-3-8(4-2-7)15-9-5-6-9/h1-4,9H,5-6H2,(H2,12,14).
What are the key properties of 5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine?
5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 233.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114520379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).