2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide

C22H30F3N5O2S — CID 138671641

IUPAC2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
SMILESCn1cc(CC(=O)NC2CCC(CCN3CCc4sc(COC(F)(F)F)nc4C3)CC2)cn1
InChIInChI=1S/C22H30F3N5O2S/c1-29-12-16(11-26-29)10-20(31)27-17-4-2-15(3-5-17)6-8-30-9-7-19-18(13-30)28-21(33-19)14-32-22(23,24)25/h11-12,15,17H,2-10,13-14H2,1H3,(H,27,31)
InChIKeyWGUSAYGXLQUQRB-UHFFFAOYSA-N
MW485.58 g/mol
LogP3.58
Rot. Bonds8

About 2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide

2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide (PubChem CID 138671641) has the molecular formula C22H30F3N5O2S and a molecular weight of 485.58 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
PubChem CID138671641
Molecular FormulaC22H30F3N5O2S
Molecular Weight485.58 g/mol
Exact Mass485.21
IUPAC Name2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
SMILESCn1cc(CC(=O)NC2CCC(CCN3CCc4sc(COC(F)(F)F)nc4C3)CC2)cn1
InChIInChI=1S/C22H30F3N5O2S/c1-29-12-16(11-26-29)10-20(31)27-17-4-2-15(3-5-17)6-8-30-9-7-19-18(13-30)28-21(33-19)14-32-22(23,24)25/h11-12,15,17H,2-10,13-14H2,1H3,(H,27,31)
InChIKeyWGUSAYGXLQUQRB-UHFFFAOYSA-N
XLogP3.58
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide (CID 138671641) is 2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide is Cn1cc(CC(=O)NC2CCC(CCN3CCc4sc(COC(F)(F)F)nc4C3)CC2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is WGUSAYGXLQUQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N5O2S/c1-29-12-16(11-26-29)10-20(31)27-17-4-2-15(3-5-17)6-8-30-9-7-19-18(13-30)28-21(33-19)14-32-22(23,24)25/h11-12,15,17H,2-10,13-14H2,1H3,(H,27,31).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 485.58 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-[4-[2-[2-(trifluoromethoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 138671641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).