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

C24H35F2N5O2S — CID 138671400

IUPACN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)nn1C
InChIInChI=1S/C24H35F2N5O2S/c1-16-12-19(29-30(16)3)13-22(32)27-18-6-4-17(5-7-18)8-10-31-11-9-21-20(14-31)28-23(34-21)33-15-24(2,25)26/h12,17-18H,4-11,13-15H2,1-3H3,(H,27,32)
InChIKeyHMOMPQCLNKKVTM-UHFFFAOYSA-N
MW495.64 g/mol
LogP3.88
Rot. Bonds9

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

N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 138671400) has the molecular formula C24H35F2N5O2S and a molecular weight of 495.64 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide
PubChem CID138671400
Molecular FormulaC24H35F2N5O2S
Molecular Weight495.64 g/mol
Exact Mass495.25
IUPAC NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)nn1C
InChIInChI=1S/C24H35F2N5O2S/c1-16-12-19(29-30(16)3)13-22(32)27-18-6-4-17(5-7-18)8-10-31-11-9-21-20(14-31)28-23(34-21)33-15-24(2,25)26/h12,17-18H,4-11,13-15H2,1-3H3,(H,27,32)
InChIKeyHMOMPQCLNKKVTM-UHFFFAOYSA-N
XLogP3.88
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(5-fluoro-1-methylpyrazol-4-yl)acetamide
CID 138670887
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,3-thiazol-2-yl)acetamide
CID 138670439
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 138671999
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 138670449
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 138671425
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1-methylindazole-6-carboxamide
CID 138671638
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-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-methyl-1,3-benzothiazole-7-carboxamide
CID 138671460
N-[4-[2-[2-(2,2-difluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-4,4,4-trifluorobutanamide
CID 138671869
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-1,3-benzodioxole-4-carboxamide
CID 138671557
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide
CID 138670821
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-2,3-dihydro-1,2-oxazol-5-yl)acetamide
CID 155347220

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide (CID 138671400) is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(CC(=O)NC2CCC(CCN3CCc4sc(OCC(C)(F)F)nc4C3)CC2)nn1C.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is HMOMPQCLNKKVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F2N5O2S/c1-16-12-19(29-30(16)3)13-22(32)27-18-6-4-17(5-7-18)8-10-31-11-9-21-20(14-31)28-23(34-21)33-15-24(2,25)26/h12,17-18H,4-11,13-15H2,1-3H3,(H,27,32).
What are the key properties of N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide?
N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 495.64 g/mol, XLogP of 3.88, 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-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 138671400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).