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

C24H28FN3O4S — CID 122497492

IUPACN-[(2S)-1-[4-[[2-[(4-fluorophenyl)methoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2cc3sc(OCc4ccc(F)cc4)nc3cn2)CC1
InChIInChI=1S/C24H28FN3O4S/c1-15(27-16(2)29)13-30-19-7-9-20(10-8-19)32-23-11-22-21(12-26-23)28-24(33-22)31-14-17-3-5-18(25)6-4-17/h3-6,11-12,15,19-20H,7-10,13-14H2,1-2H3,(H,27,29)/t15-,19?,20?/m0/s1
InChIKeyYBRGIWNGSYRZMG-VMEOHVCESA-N
MW473.57 g/mol
LogP4.64
Rot. Bonds9

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

N-[(2S)-1-[4-[[2-[(4-fluorophenyl)methoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497492) has the molecular formula C24H28FN3O4S and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[(2S)-1-[4-[[2-[(4-fluorophenyl)methoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[[2-[(4-fluorophenyl)methoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122497492
Molecular FormulaC24H28FN3O4S
Molecular Weight473.57 g/mol
Exact Mass473.18
IUPAC NameN-[(2S)-1-[4-[[2-[(4-fluorophenyl)methoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2cc3sc(OCc4ccc(F)cc4)nc3cn2)CC1
InChIInChI=1S/C24H28FN3O4S/c1-15(27-16(2)29)13-30-19-7-9-20(10-8-19)32-23-11-22-21(12-26-23)28-24(33-22)31-14-17-3-5-18(25)6-4-17/h3-6,11-12,15,19-20H,7-10,13-14H2,1-2H3,(H,27,29)/t15-,19?,20?/m0/s1
InChIKeyYBRGIWNGSYRZMG-VMEOHVCESA-N
XLogP4.64
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[(E,2S)-4-[6-[(7-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxy]-3-pyridinyl]but-3-en-2-yl]acetamide
CID 145987485
N1-(4-methoxybenzyl)-2-(pyrido[3,2-d][1,3]thiazol-2-ylthio)acetamide
CID 2727534
US10150728, Example I-163
CID 122497091
US10150728, Example I-277
CID 122497165
US10150728, Example I-169
CID 122497177
US10150728, Example I-181
CID 122497184
US10150728, Example I-299
CID 122497243
US10150728, Example I-262
CID 122497246
US10150728, Example I-238
CID 122497283
US10150728, Example I-032
CID 122497358
US10150728, Example I-036
CID 122497360
US10150728, Example I-049
CID 122497362

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[[2-[(4-fluorophenyl)methoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[[2-[(4-fluorophenyl)methoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide (CID 122497492) is N-[(2S)-1-[4-[[2-[(4-fluorophenyl)methoxy]-[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-[(4-fluorophenyl)methoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[[2-[(4-fluorophenyl)methoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCC(Oc2cc3sc(OCc4ccc(F)cc4)nc3cn2)CC1.
What is the InChIKey of N-[(2S)-1-[4-[[2-[(4-fluorophenyl)methoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is YBRGIWNGSYRZMG-VMEOHVCESA-N. The full InChI is InChI=1S/C24H28FN3O4S/c1-15(27-16(2)29)13-30-19-7-9-20(10-8-19)32-23-11-22-21(12-26-23)28-24(33-22)31-14-17-3-5-18(25)6-4-17/h3-6,11-12,15,19-20H,7-10,13-14H2,1-2H3,(H,27,29)/t15-,19?,20?/m0/s1.
What are the key properties of N-[(2S)-1-[4-[[2-[(4-fluorophenyl)methoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-[[2-[(4-fluorophenyl)methoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 473.57 g/mol, XLogP of 4.64, 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-[(4-fluorophenyl)methoxy]-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).