4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole

C15H19ClN2OS — CID 43407979

IUPAC4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole
SMILESCCc1ccc(OCc2nnsc2Cl)c(C(C)(C)C)c1
InChIInChI=1S/C15H19ClN2OS/c1-5-10-6-7-13(11(8-10)15(2,3)4)19-9-12-14(16)20-18-17-12/h6-8H,5,9H2,1-4H3
InChIKeyWRZDYEFYAQBEMI-UHFFFAOYSA-N
MW310.85 g/mol
LogP4.63
Rot. Bonds4

About 4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole

4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole (PubChem CID 43407979) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole.

Molecular Properties

Compound Name4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole
PubChem CID43407979
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole
SMILESCCc1ccc(OCc2nnsc2Cl)c(C(C)(C)C)c1
InChIInChI=1S/C15H19ClN2OS/c1-5-10-6-7-13(11(8-10)15(2,3)4)19-9-12-14(16)20-18-17-12/h6-8H,5,9H2,1-4H3
InChIKeyWRZDYEFYAQBEMI-UHFFFAOYSA-N
XLogP4.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-tert-butyl-4-ethylphenoxy)methyl-trifluoroboranuide
CID 63701534
N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
CID 63476113
6-[(2-tert-butyl-4-ethylphenoxy)methyl]pyridin-2-amine
CID 79234211
2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene
CID 77051207
[5-[(2-tert-butyl-4-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 62452181
5-chloro-4-[(2-methylsulfanylphenoxy)methyl]thiadiazole
CID 63649178
5-chloro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazole
CID 60673612
3-[4-[(5-chlorothiadiazol-4-yl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866157
5-chloro-4-[(3,5-dimethylphenoxy)methyl]thiadiazole
CID 43407935
5-[(2-tert-butyl-4-ethylphenoxy)methyl]furan-2-carboxylic acid
CID 7138841
3-(2-tert-butyl-4-ethylphenoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64804713
2-bromo-5-(2-tert-butyl-4-ethylphenoxy)-1,3,4-thiadiazole
CID 64625478

Frequently Asked Questions

What is the IUPAC name of 4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole?
The IUPAC name of 4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole (CID 43407979) is 4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole.
What is the SMILES notation for 4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole?
The canonical SMILES for 4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole is CCc1ccc(OCc2nnsc2Cl)c(C(C)(C)C)c1.
What is the InChIKey of 4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole?
The InChIKey is WRZDYEFYAQBEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-5-10-6-7-13(11(8-10)15(2,3)4)19-9-12-14(16)20-18-17-12/h6-8H,5,9H2,1-4H3.
What are the key properties of 4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole?
4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole has a molecular weight of 310.85 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-tert-butyl-4-ethylphenoxy)methyl]-5-chlorothiadiazole is sourced from PubChem (CID 43407979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).