N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide

C20H22N2O3S — CID 68759948

IUPACN-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc2cc(Oc3cnc(OC(C)C)s3)ccc2c1
InChIInChI=1S/C20H22N2O3S/c1-13(2)24-20-22-12-19(26-20)25-18-7-6-16-10-15(4-5-17(16)11-18)8-9-21-14(3)23/h4-7,10-13H,8-9H2,1-3H3,(H,21,23)
InChIKeyHDRXWTFJJFIQCV-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.55
Rot. Bonds7

About N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide

N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide (PubChem CID 68759948) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide
PubChem CID68759948
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc2cc(Oc3cnc(OC(C)C)s3)ccc2c1
InChIInChI=1S/C20H22N2O3S/c1-13(2)24-20-22-12-19(26-20)25-18-7-6-16-10-15(4-5-17(16)11-18)8-9-21-14(3)23/h4-7,10-13H,8-9H2,1-3H3,(H,21,23)
InChIKeyHDRXWTFJJFIQCV-UHFFFAOYSA-N
XLogP4.55
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide (CID 68759948) is N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc2cc(Oc3cnc(OC(C)C)s3)ccc2c1.
What is the InChIKey of N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide?
The InChIKey is HDRXWTFJJFIQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13(2)24-20-22-12-19(26-20)25-18-7-6-16-10-15(4-5-17(16)11-18)8-9-21-14(3)23/h4-7,10-13H,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide?
N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide has a molecular weight of 370.47 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide is sourced from PubChem (CID 68759948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).