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

C21H29F2N5O2S — CID 138672020

IUPACN-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1H-imidazol-2-yl)acetamide
SMILESO=C(Cc1ncc[nH]1)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
InChIInChI=1S/C21H29F2N5O2S/c22-18(23)13-30-21-27-16-12-28(10-6-17(16)31-21)9-5-14-1-3-15(4-2-14)26-20(29)11-19-24-7-8-25-19/h7-8,14-15,18H,1-6,9-13H2,(H,24,25)(H,26,29)
InChIKeyONROSKCZXNVOQL-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.18
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-(1H-imidazol-2-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-(1H-imidazol-2-yl)acetamide (PubChem CID 138672020) has the molecular formula C21H29F2N5O2S and a molecular weight of 453.56 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-(1H-imidazol-2-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-(1H-imidazol-2-yl)acetamide
PubChem CID138672020
Molecular FormulaC21H29F2N5O2S
Molecular Weight453.56 g/mol
Exact Mass453.20
IUPAC NameN-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1H-imidazol-2-yl)acetamide
SMILESO=C(Cc1ncc[nH]1)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1
InChIInChI=1S/C21H29F2N5O2S/c22-18(23)13-30-21-27-16-12-28(10-6-17(16)31-21)9-5-14-1-3-15(4-2-14)26-20(29)11-19-24-7-8-25-19/h7-8,14-15,18H,1-6,9-13H2,(H,24,25)(H,26,29)
InChIKeyONROSKCZXNVOQL-UHFFFAOYSA-N
XLogP3.18
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propanamide
CID 138671862
N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]pentanamide
CID 138670825
2-(4-cyanophenyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
CID 138671361
N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-imidazo[1,2-a]pyridin-3-ylacetamide
CID 138670837
3-(3-chlorophenyl)-N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]propanamide
CID 138671588
N-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-4,4,4-trifluorobutanamide
CID 138671378
1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]butan-2-one
CID 158301157
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]-2-(5-fluoro-1-methylpyrazol-4-yl)acetamide
CID 138670887
1-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(3,5-dimethylpyrazol-1-yl)propan-2-one
CID 159210563
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

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-(1H-imidazol-2-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-(1H-imidazol-2-yl)acetamide (CID 138672020) is N-[4-[2-[2-(2,2-difluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1H-imidazol-2-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-(1H-imidazol-2-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-(1H-imidazol-2-yl)acetamide is O=C(Cc1ncc[nH]1)NC1CCC(CCN2CCc3sc(OCC(F)F)nc3C2)CC1.
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-(1H-imidazol-2-yl)acetamide?
The InChIKey is ONROSKCZXNVOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F2N5O2S/c22-18(23)13-30-21-27-16-12-28(10-6-17(16)31-21)9-5-14-1-3-15(4-2-14)26-20(29)11-19-24-7-8-25-19/h7-8,14-15,18H,1-6,9-13H2,(H,24,25)(H,26,29).
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-(1H-imidazol-2-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-(1H-imidazol-2-yl)acetamide has a molecular weight of 453.56 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 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-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 138672020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).