N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

C19H26FN3O4S — CID 122497243

IUPACN-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(F)(COc2ccc3nc(OC(C)C)sc3n2)C1
InChIInChI=1S/C19H26FN3O4S/c1-11(2)27-18-22-15-5-6-16(23-17(15)28-18)26-10-19(20)7-14(8-19)25-9-12(3)21-13(4)24/h5-6,11-12,14H,7-10H2,1-4H3,(H,21,24)/t12-,14?,19?/m0/s1
InChIKeyWVIRPMGMSRKWPW-YXZFSOQLSA-N
MW411.50 g/mol
LogP3.27
Rot. Bonds9

About N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (PubChem CID 122497243) has the molecular formula C19H26FN3O4S and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
PubChem CID122497243
Molecular FormulaC19H26FN3O4S
Molecular Weight411.50 g/mol
Exact Mass411.16
IUPAC NameN-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(F)(COc2ccc3nc(OC(C)C)sc3n2)C1
InChIInChI=1S/C19H26FN3O4S/c1-11(2)27-18-22-15-5-6-16(23-17(15)28-18)26-10-19(20)7-14(8-19)25-9-12(3)21-13(4)24/h5-6,11-12,14H,7-10H2,1-4H3,(H,21,24)/t12-,14?,19?/m0/s1
InChIKeyWVIRPMGMSRKWPW-YXZFSOQLSA-N
XLogP3.27
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (CID 122497243) is N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CC(F)(COc2ccc3nc(OC(C)C)sc3n2)C1.
What is the InChIKey of N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The InChIKey is WVIRPMGMSRKWPW-YXZFSOQLSA-N. The full InChI is InChI=1S/C19H26FN3O4S/c1-11(2)27-18-22-15-5-6-16(23-17(15)28-18)26-10-19(20)7-14(8-19)25-9-12(3)21-13(4)24/h5-6,11-12,14H,7-10H2,1-4H3,(H,21,24)/t12-,14?,19?/m0/s1.
What are the key properties of N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide has a molecular weight of 411.50 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-fluoro-3-[(2-propan-2-yloxy-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).