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

C20H27N3O4S — CID 122497724

IUPACN-[(2S)-1-[4-[(2-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2cc3sc(OC4CC4)nc3cn2)CC1
InChIInChI=1S/C20H27N3O4S/c1-12(22-13(2)24)11-25-14-3-5-15(6-4-14)26-19-9-18-17(10-21-19)23-20(28-18)27-16-7-8-16/h9-10,12,14-16H,3-8,11H2,1-2H3,(H,22,24)/t12-,14?,15?/m0/s1
InChIKeyGTSDEXOXORJERL-GRTSSRMGSA-N
MW405.52 g/mol
LogP3.46
Rot. Bonds8

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

N-[(2S)-1-[4-[(2-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497724) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(2S)-1-[4-[(2-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[(2-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122497724
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[(2S)-1-[4-[(2-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CCC(Oc2cc3sc(OC4CC4)nc3cn2)CC1
InChIInChI=1S/C20H27N3O4S/c1-12(22-13(2)24)11-25-14-3-5-15(6-4-14)26-19-9-18-17(10-21-19)23-20(28-18)27-16-7-8-16/h9-10,12,14-16H,3-8,11H2,1-2H3,(H,22,24)/t12-,14?,15?/m0/s1
InChIKeyGTSDEXOXORJERL-GRTSSRMGSA-N
XLogP3.46
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[(2-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[(2-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide (CID 122497724) is N-[(2S)-1-[4-[(2-cyclopropyloxy-[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-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[(2-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CCC(Oc2cc3sc(OC4CC4)nc3cn2)CC1.
What is the InChIKey of N-[(2S)-1-[4-[(2-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is GTSDEXOXORJERL-GRTSSRMGSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-12(22-13(2)24)11-25-14-3-5-15(6-4-14)26-19-9-18-17(10-21-19)23-20(28-18)27-16-7-8-16/h9-10,12,14-16H,3-8,11H2,1-2H3,(H,22,24)/t12-,14?,15?/m0/s1.
What are the key properties of N-[(2S)-1-[4-[(2-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-[(2-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 405.52 g/mol, XLogP of 3.46, 8 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-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).