5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

C11H13N3OS — CID 685779

IUPAC5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(C)c(OCc2nnc(N)s2)c1
InChIInChI=1S/C11H13N3OS/c1-7-3-4-8(2)9(5-7)15-6-10-13-14-11(12)16-10/h3-5H,6H2,1-2H3,(H2,12,14)
InChIKeyANSVDSMQFXEIAG-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.32
Rot. Bonds3

About 5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 685779) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID685779
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(C)c(OCc2nnc(N)s2)c1
InChIInChI=1S/C11H13N3OS/c1-7-3-4-8(2)9(5-7)15-6-10-13-14-11(12)16-10/h3-5H,6H2,1-2H3,(H2,12,14)
InChIKeyANSVDSMQFXEIAG-UHFFFAOYSA-N
XLogP2.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 7139266
3-[(2,5-dimethylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 39374269
2-[2-[(2,5-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]propan-2-amine
CID 82426105
5-[(2,4-ditert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 7139278
[2-[(2,5-dimethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440498
2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine
CID 79250809
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
CID 79764612
[4-[(5-amino-1,3,4-thiadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol
CID 107744788
5-[(5-bromo-2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 114676642
(2,5-dimethylphenoxy)methanamine
CID 89376053
2-[(2,5-dimethylphenoxy)methyl]thiophene
CID 112725392
[5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764668

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine (CID 685779) is 5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine is Cc1ccc(C)c(OCc2nnc(N)s2)c1.
What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ANSVDSMQFXEIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-3-4-8(2)9(5-7)15-6-10-13-14-11(12)16-10/h3-5H,6H2,1-2H3,(H2,12,14).
What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 685779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).