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

C19H21FN4O3S — CID 122497607

IUPACN-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cnc(Oc2ccc3nc(C(C)C)sc3c2F)cn1
InChIInChI=1S/C19H21FN4O3S/c1-10(2)19-24-13-5-6-14(17(20)18(13)28-19)27-16-8-21-15(7-22-16)26-9-11(3)23-12(4)25/h5-8,10-11H,9H2,1-4H3,(H,23,25)/t11-/m0/s1
InChIKeyGUARPEPHPIGPKZ-NSHDSACASA-N
MW404.47 g/mol
LogP4.04
Rot. Bonds7

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

N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide (PubChem CID 122497607) has the molecular formula C19H21FN4O3S and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide
PubChem CID122497607
Molecular FormulaC19H21FN4O3S
Molecular Weight404.47 g/mol
Exact Mass404.13
IUPAC NameN-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cnc(Oc2ccc3nc(C(C)C)sc3c2F)cn1
InChIInChI=1S/C19H21FN4O3S/c1-10(2)19-24-13-5-6-14(17(20)18(13)28-19)27-16-8-21-15(7-22-16)26-9-11(3)23-12(4)25/h5-8,10-11H,9H2,1-4H3,(H,23,25)/t11-/m0/s1
InChIKeyGUARPEPHPIGPKZ-NSHDSACASA-N
XLogP4.04
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide (CID 122497607) is N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1cnc(Oc2ccc3nc(C(C)C)sc3c2F)cn1.
What is the InChIKey of N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide?
The InChIKey is GUARPEPHPIGPKZ-NSHDSACASA-N. The full InChI is InChI=1S/C19H21FN4O3S/c1-10(2)19-24-13-5-6-14(17(20)18(13)28-19)27-16-8-21-15(7-22-16)26-9-11(3)23-12(4)25/h5-8,10-11H,9H2,1-4H3,(H,23,25)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[5-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]pyrazin-2-yl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).