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

C23H31F2N5O3S — CID 138670497

IUPACN-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide
SMILESCOc1cc(CC(=O)NC2CCC(CCN3CCc4sc(N5CC(F)(F)C5)nc4C3)CC2)on1
InChIInChI=1S/C23H31F2N5O3S/c1-32-21-11-17(33-28-21)10-20(31)26-16-4-2-15(3-5-16)6-8-29-9-7-19-18(12-29)27-22(34-19)30-13-23(24,25)14-30/h11,15-16H,2-10,12-14H2,1H3,(H,26,31)
InChIKeyOJUNMSDCPOWMOQ-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.26
Rot. Bonds8

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

N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide (PubChem CID 138670497) has the molecular formula C23H31F2N5O3S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide
PubChem CID138670497
Molecular FormulaC23H31F2N5O3S
Molecular Weight495.60 g/mol
Exact Mass495.21
IUPAC NameN-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide
SMILESCOc1cc(CC(=O)NC2CCC(CCN3CCc4sc(N5CC(F)(F)C5)nc4C3)CC2)on1
InChIInChI=1S/C23H31F2N5O3S/c1-32-21-11-17(33-28-21)10-20(31)26-16-4-2-15(3-5-16)6-8-29-9-7-19-18(12-29)27-22(34-19)30-13-23(24,25)14-30/h11,15-16H,2-10,12-14H2,1H3,(H,26,31)
InChIKeyOJUNMSDCPOWMOQ-UHFFFAOYSA-N
XLogP3.26
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[4-[2-[2-(3,3-dimethylazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 138671314
N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide
CID 138670727
N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide
CID 138671873
N-[4-[2-[2-(azetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 138671311
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
1-[4-[2-[2-[3-(difluoromethyl)azetidin-1-yl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one
CID 157069785
4-(3-methoxy-1,2-oxazol-5-yl)-1-[4-[2-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one
CID 148921814
N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 155347388
N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 155484067
N-[4-[2-[2-(3,3-difluorocyclobutyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 138670446
acetylene;N-cyclohexyl-2-(3-methyl-1,2-oxazol-5-yl)acetamide;5-ethyl-2-(3-methoxypiperidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
CID 145451295
N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(2-methyl-1,5-dihydropyrazol-4-yl)acetamide
CID 145452093

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide (CID 138670497) is N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide is COc1cc(CC(=O)NC2CCC(CCN3CCc4sc(N5CC(F)(F)C5)nc4C3)CC2)on1.
What is the InChIKey of N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide?
The InChIKey is OJUNMSDCPOWMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2N5O3S/c1-32-21-11-17(33-28-21)10-20(31)26-16-4-2-15(3-5-16)6-8-29-9-7-19-18(12-29)27-22(34-19)30-13-23(24,25)14-30/h11,15-16H,2-10,12-14H2,1H3,(H,26,31).
What are the key properties of N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide?
N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide has a molecular weight of 495.60 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methoxy-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 138670497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).