2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C17H23N3O3S — CID 2062161

IUPAC2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)COc2ccc(C)cc2C(C)(C)C)s1
InChIInChI=1S/C17H23N3O3S/c1-11-6-7-13(12(8-11)17(2,3)4)23-9-14(21)18-16-20-19-15(24-16)10-22-5/h6-8H,9-10H2,1-5H3,(H,18,20,21)
InChIKeyYPZGTTQACTUSHQ-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.31
Rot. Bonds6

About 2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 2062161) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID2062161
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)COc2ccc(C)cc2C(C)(C)C)s1
InChIInChI=1S/C17H23N3O3S/c1-11-6-7-13(12(8-11)17(2,3)4)23-9-14(21)18-16-20-19-15(24-16)10-22-5/h6-8H,9-10H2,1-5H3,(H,18,20,21)
InChIKeyYPZGTTQACTUSHQ-UHFFFAOYSA-N
XLogP3.31
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 777645
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CID 811240
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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 2062161) is 2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is COCc1nnc(NC(=O)COc2ccc(C)cc2C(C)(C)C)s1.
What is the InChIKey of 2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is YPZGTTQACTUSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-11-6-7-13(12(8-11)17(2,3)4)23-9-14(21)18-16-20-19-15(24-16)10-22-5/h6-8H,9-10H2,1-5H3,(H,18,20,21).
What are the key properties of 2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 349.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 2062161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).