N-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide

C20H28FN3O4S — CID 122497246

IUPACN-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2cc3sc(OC[C@@H](C)F)nc3cn2)CC1
InChIInChI=1S/C20H28FN3O4S/c1-12(21)10-27-20-24-17-9-22-19(8-18(17)29-20)28-16-6-4-15(5-7-16)26-11-13(2)23-14(3)25/h8-9,12-13,15-16H,4-7,10-11H2,1-3H3,(H,23,25)/t12-,13+,15?,16?/m1/s1
InChIKeyKQSXVHWGNVZKDS-SQHUISNBSA-N
MW425.53 g/mol
LogP3.66
Rot. Bonds9

About N-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497246) has the molecular formula C20H28FN3O4S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122497246
Molecular FormulaC20H28FN3O4S
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC NameN-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2cc3sc(OC[C@@H](C)F)nc3cn2)CC1
InChIInChI=1S/C20H28FN3O4S/c1-12(21)10-27-20-24-17-9-22-19(8-18(17)29-20)28-16-6-4-15(5-7-16)26-11-13(2)23-14(3)25/h8-9,12-13,15-16H,4-7,10-11H2,1-3H3,(H,23,25)/t12-,13+,15?,16?/m1/s1
InChIKeyKQSXVHWGNVZKDS-SQHUISNBSA-N
XLogP3.66
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide (CID 122497246) is N-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCC(Oc2cc3sc(OC[C@@H](C)F)nc3cn2)CC1.
What is the InChIKey of N-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is KQSXVHWGNVZKDS-SQHUISNBSA-N. The full InChI is InChI=1S/C20H28FN3O4S/c1-12(21)10-27-20-24-17-9-22-19(8-18(17)29-20)28-16-6-4-15(5-7-16)26-11-13(2)23-14(3)25/h8-9,12-13,15-16H,4-7,10-11H2,1-3H3,(H,23,25)/t12-,13+,15?,16?/m1/s1.
What are the key properties of N-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 425.53 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-[[2-[(2R)-2-fluoropropoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).