N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide

C15H18N2O3S — CID 71977190

IUPACN-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(Oc2nccs2)cc1
InChIInChI=1S/C15H18N2O3S/c1-15(2,3)17-13(18)10-19-11-4-6-12(7-5-11)20-14-16-8-9-21-14/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeyKHNFDPIHGUDAFO-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.23
Rot. Bonds5

About N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide

N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide (PubChem CID 71977190) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide
PubChem CID71977190
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(Oc2nccs2)cc1
InChIInChI=1S/C15H18N2O3S/c1-15(2,3)17-13(18)10-19-11-4-6-12(7-5-11)20-14-16-8-9-21-14/h4-9H,10H2,1-3H3,(H,17,18)
InChIKeyKHNFDPIHGUDAFO-UHFFFAOYSA-N
XLogP3.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide (CID 71977190) is N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide is CC(C)(C)NC(=O)COc1ccc(Oc2nccs2)cc1.
What is the InChIKey of N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide?
The InChIKey is KHNFDPIHGUDAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-15(2,3)17-13(18)10-19-11-4-6-12(7-5-11)20-14-16-8-9-21-14/h4-9H,10H2,1-3H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide?
N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide has a molecular weight of 306.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(1,3-thiazol-2-yloxy)phenoxy]acetamide is sourced from PubChem (CID 71977190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).