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

C22H31F2N5O2S — CID 138671116

IUPACN-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CCC(CCN3CCc4sc(OCC(F)F)nc4C3)CC2)n1
InChIInChI=1S/C22H31F2N5O2S/c1-15-6-11-29(27-15)13-21(30)25-17-4-2-16(3-5-17)7-9-28-10-8-19-18(12-28)26-22(32-19)31-14-20(23)24/h6,11,16-17,20H,2-5,7-10,12-14H2,1H3,(H,25,30)
InChIKeyTYRDNMNUFMRPNT-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.42
Rot. Bonds9

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

N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 138671116) has the molecular formula C22H31F2N5O2S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID138671116
Molecular FormulaC22H31F2N5O2S
Molecular Weight467.59 g/mol
Exact Mass467.22
IUPAC NameN-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CCC(CCN3CCc4sc(OCC(F)F)nc4C3)CC2)n1
InChIInChI=1S/C22H31F2N5O2S/c1-15-6-11-29(27-15)13-21(30)25-17-4-2-16(3-5-17)7-9-28-10-8-19-18(12-28)26-22(32-19)31-14-20(23)24/h6,11,16-17,20H,2-5,7-10,12-14H2,1H3,(H,25,30)
InChIKeyTYRDNMNUFMRPNT-UHFFFAOYSA-N
XLogP3.42
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide (CID 138671116) is N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)NC2CCC(CCN3CCc4sc(OCC(F)F)nc4C3)CC2)n1.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is TYRDNMNUFMRPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F2N5O2S/c1-15-6-11-29(27-15)13-21(30)25-17-4-2-16(3-5-17)7-9-28-10-8-19-18(12-28)26-22(32-19)31-14-20(23)24/h6,11,16-17,20H,2-5,7-10,12-14H2,1H3,(H,25,30).
What are the key properties of N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 467.59 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 138671116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).