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3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile

C26H35N5O2S — CID 158040654

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile
SMILESCc1cc(CC(=O)CC2CCC(CCN3CCc4sc(N5CC(C)(C#N)C5)nc4C3)CC2)on1
InChIInChI=1S/C26H35N5O2S/c1-18-11-22(33-29-18)13-21(32)12-20-5-3-19(4-6-20)7-9-30-10-8-24-23(14-30)28-25(34-24)31-16-26(2,15-27)17-31/h11,19-20H,3-10,12-14,16-17H2,1-2H3
InChIKeyFIHUQQAQBMRNLX-UHFFFAOYSA-N
MW481.67 g/mol
LogP4.55
Rot. Bonds8

About 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile

3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile (PubChem CID 158040654) has the molecular formula C26H35N5O2S and a molecular weight of 481.67 g/mol. Its IUPAC name is 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile
PubChem CID158040654
Molecular FormulaC26H35N5O2S
Molecular Weight481.67 g/mol
Exact Mass481.25
IUPAC Name3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile
SMILESCc1cc(CC(=O)CC2CCC(CCN3CCc4sc(N5CC(C)(C#N)C5)nc4C3)CC2)on1
InChIInChI=1S/C26H35N5O2S/c1-18-11-22(33-29-18)13-21(32)12-20-5-3-19(4-6-20)7-9-30-10-8-24-23(14-30)28-25(34-24)31-16-26(2,15-27)17-31/h11,19-20H,3-10,12-14,16-17H2,1-2H3
InChIKeyFIHUQQAQBMRNLX-UHFFFAOYSA-N
XLogP4.55
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.67
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile?
The IUPAC name of 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile (CID 158040654) is 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile.
What is the SMILES notation for 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile?
The canonical SMILES for 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile is Cc1cc(CC(=O)CC2CCC(CCN3CCc4sc(N5CC(C)(C#N)C5)nc4C3)CC2)on1.
What is the InChIKey of 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile?
The InChIKey is FIHUQQAQBMRNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2S/c1-18-11-22(33-29-18)13-21(32)12-20-5-3-19(4-6-20)7-9-30-10-8-24-23(14-30)28-25(34-24)31-16-26(2,15-27)17-31/h11,19-20H,3-10,12-14,16-17H2,1-2H3.
What are the key properties of 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile?
3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile has a molecular weight of 481.67 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-[2-[4-[3-(3-methyl-1,2-oxazol-5-yl)-2-oxopropyl]cyclohexyl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl]azetidine-3-carbonitrile is sourced from PubChem (CID 158040654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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