N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide

C20H23FN4O3S — CID 154946747

IUPACN-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide
SMILESCC(=O)NC(C)C(C)Oc1cnc(Oc2ccc3nc(C(C)C)sc3c2F)cn1
InChIInChI=1S/C20H23FN4O3S/c1-10(2)20-25-14-6-7-15(18(21)19(14)29-20)28-17-9-22-16(8-23-17)27-12(4)11(3)24-13(5)26/h6-12H,1-5H3,(H,24,26)
InChIKeyYCEUTTVQEMHHIB-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.43
Rot. Bonds7

About N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide

N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide (PubChem CID 154946747) has the molecular formula C20H23FN4O3S and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide
PubChem CID154946747
Molecular FormulaC20H23FN4O3S
Molecular Weight418.49 g/mol
Exact Mass418.15
IUPAC NameN-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide
SMILESCC(=O)NC(C)C(C)Oc1cnc(Oc2ccc3nc(C(C)C)sc3c2F)cn1
InChIInChI=1S/C20H23FN4O3S/c1-10(2)20-25-14-6-7-15(18(21)19(14)29-20)28-17-9-22-16(8-23-17)27-12(4)11(3)24-13(5)26/h6-12H,1-5H3,(H,24,26)
InChIKeyYCEUTTVQEMHHIB-UHFFFAOYSA-N
XLogP4.43
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide?
The IUPAC name of N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide (CID 154946747) is N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide.
What is the SMILES notation for N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide?
The canonical SMILES for N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide is CC(=O)NC(C)C(C)Oc1cnc(Oc2ccc3nc(C(C)C)sc3c2F)cn1.
What is the InChIKey of N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide?
The InChIKey is YCEUTTVQEMHHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3S/c1-10(2)20-25-14-6-7-15(18(21)19(14)29-20)28-17-9-22-16(8-23-17)27-12(4)11(3)24-13(5)26/h6-12H,1-5H3,(H,24,26).
What are the key properties of N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide?
N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide has a molecular weight of 418.49 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxybutan-2-yl]acetamide is sourced from PubChem (CID 154946747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).