4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine

C13H17N3OS — CID 55044701

IUPAC4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine
SMILESCC(C)(C)c1cccc(OCc2nnsc2N)c1
InChIInChI=1S/C13H17N3OS/c1-13(2,3)9-5-4-6-10(7-9)17-8-11-12(14)18-16-15-11/h4-7H,8,14H2,1-3H3
InChIKeyYAAOSUIGOAEABN-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.00
Rot. Bonds3

About 4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine

4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine (PubChem CID 55044701) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine
PubChem CID55044701
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine
SMILESCC(C)(C)c1cccc(OCc2nnsc2N)c1
InChIInChI=1S/C13H17N3OS/c1-13(2,3)9-5-4-6-10(7-9)17-8-11-12(14)18-16-15-11/h4-7H,8,14H2,1-3H3
InChIKeyYAAOSUIGOAEABN-UHFFFAOYSA-N
XLogP3.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-bromophenoxy)methyl]thiadiazol-5-amine
CID 62193534
4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazol-5-amine
CID 62195183
3-bromo-2-[(3-tert-butylphenoxy)methyl]aniline
CID 43351777
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine
CID 43169662
5-chloro-4-[(3-methoxyphenoxy)methyl]thiadiazole
CID 43407940
[4-[(3-methylphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62244685
[4-[(3-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 62245057
4-[(3-ethylphenoxy)methyl]-N-propylthiadiazol-5-amine
CID 55045166
4-[(2-chlorophenoxy)methyl]thiadiazol-5-amine
CID 62193343
[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79230468
4-[(3-bromo-5-fluorophenoxy)methyl]thiadiazol-5-amine
CID 81325764

Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine?
The IUPAC name of 4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine (CID 55044701) is 4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine is CC(C)(C)c1cccc(OCc2nnsc2N)c1.
What is the InChIKey of 4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine?
The InChIKey is YAAOSUIGOAEABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-13(2,3)9-5-4-6-10(7-9)17-8-11-12(14)18-16-15-11/h4-7H,8,14H2,1-3H3.
What are the key properties of 4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine?
4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine has a molecular weight of 263.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butylphenoxy)methyl]thiadiazol-5-amine is sourced from PubChem (CID 55044701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).