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

C21H31F2N3O2S — CID 138670362

IUPAC2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
SMILESO=C(CC1CC1)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
InChIInChI=1S/C21H31F2N3O2S/c22-19(23)13-28-21-25-17-12-26(10-8-18(17)29-21)9-7-14-3-5-16(6-4-14)24-20(27)11-15-1-2-15/h14-16,19H,1-13H2,(H,24,27)
InChIKeyBDMRQUCFGARAAE-UHFFFAOYSA-N
MW427.56 g/mol
LogP4.01
Rot. Bonds9

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

2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide (PubChem CID 138670362) has the molecular formula C21H31F2N3O2S and a molecular weight of 427.56 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
PubChem CID138670362
Molecular FormulaC21H31F2N3O2S
Molecular Weight427.56 g/mol
Exact Mass427.21
IUPAC Name2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
SMILESO=C(CC1CC1)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
InChIInChI=1S/C21H31F2N3O2S/c22-19(23)13-28-21-25-17-12-26(10-8-18(17)29-21)9-7-14-3-5-16(6-4-14)24-20(27)11-15-1-2-15/h14-16,19H,1-13H2,(H,24,27)
InChIKeyBDMRQUCFGARAAE-UHFFFAOYSA-N
XLogP4.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-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-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide (CID 138670362) is 2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide is O=C(CC1CC1)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1.
What is the InChIKey of 2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is BDMRQUCFGARAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31F2N3O2S/c22-19(23)13-28-21-25-17-12-26(10-8-18(17)29-21)9-7-14-3-5-16(6-4-14)24-20(27)11-15-1-2-15/h14-16,19H,1-13H2,(H,24,27).
What are the key properties of 2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide?
2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 427.56 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 138670362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).