5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine

C11H13N3OS — CID 67236110

IUPAC5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1c(C)cc(-c2nnc(N)s2)cc1C
InChIInChI=1S/C11H13N3OS/c1-6-4-8(5-7(2)9(6)15-3)10-13-14-11(12)16-10/h4-5H,1-3H3,(H2,12,14)
InChIKeyVENOFUHFXRICIW-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.41
Rot. Bonds2

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

5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 67236110) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID67236110
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1c(C)cc(-c2nnc(N)s2)cc1C
InChIInChI=1S/C11H13N3OS/c1-6-4-8(5-7(2)9(6)15-3)10-13-14-11(12)16-10/h4-5H,1-3H3,(H2,12,14)
InChIKeyVENOFUHFXRICIW-UHFFFAOYSA-N
XLogP2.41
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.41
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-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 130052804
N-cyclopentyl-5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 67326802
5-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 79691075
5-(3-methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-amine
CID 3832219
5-(5-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 23463043
5-[4-(methoxymethoxy)phenyl]-1,3,4-thiadiazol-2-amine
CID 84616743
[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 82383295
5-(2,4,6-trimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 83662420
2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline
CID 82276097
5-(4-cyclopropyloxyphenyl)-1,3,4-thiadiazol-2-amine
CID 114520379
5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 22713200

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine (CID 67236110) is 5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine is COc1c(C)cc(-c2nnc(N)s2)cc1C.
What is the InChIKey of 5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VENOFUHFXRICIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-6-4-8(5-7(2)9(6)15-3)10-13-14-11(12)16-10/h4-5H,1-3H3,(H2,12,14).
What are the key properties of 5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine?
5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 67236110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).