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

C22H30F2N4O2S2 — CID 138670439

IUPACN-[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
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(NC(=O)Cc3nccs3)CC1)C2
InChIInChI=1S/C22H30F2N4O2S2/c1-22(23,24)14-30-21-27-17-13-28(10-7-18(17)32-21)9-6-15-2-4-16(5-3-15)26-19(29)12-20-25-8-11-31-20/h8,11,15-16H,2-7,9-10,12-14H2,1H3,(H,26,29)
InChIKeySZCVDIUHNFXXEC-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.30
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-(1,3-thiazol-2-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-(1,3-thiazol-2-yl)acetamide (PubChem CID 138670439) has the molecular formula C22H30F2N4O2S2 and a molecular weight of 484.64 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-(1,3-thiazol-2-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-(1,3-thiazol-2-yl)acetamide
PubChem CID138670439
Molecular FormulaC22H30F2N4O2S2
Molecular Weight484.64 g/mol
Exact Mass484.18
IUPAC NameN-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,3-thiazol-2-yl)acetamide
SMILESCC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(NC(=O)Cc3nccs3)CC1)C2
InChIInChI=1S/C22H30F2N4O2S2/c1-22(23,24)14-30-21-27-17-13-28(10-7-18(17)32-21)9-6-15-2-4-16(5-3-15)26-19(29)12-20-25-8-11-31-20/h8,11,15-16H,2-7,9-10,12-14H2,1H3,(H,26,29)
InChIKeySZCVDIUHNFXXEC-UHFFFAOYSA-N
XLogP4.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.30
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-(1,3-thiazol-2-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-(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
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
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)-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]-2-methyl-1,3-benzothiazole-7-carboxamide
CID 138671460
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)-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)-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
2-(5-methyl-1,3-thiazol-2-yl)-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
CID 138671941
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-(1,3-thiazol-2-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-(1,3-thiazol-2-yl)acetamide (CID 138670439) is N-[4-[2-[2-(2,2-difluoropropoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-2-(1,3-thiazol-2-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-(1,3-thiazol-2-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-(1,3-thiazol-2-yl)acetamide is CC(F)(F)COc1nc2c(s1)CCN(CCC1CCC(NC(=O)Cc3nccs3)CC1)C2.
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-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SZCVDIUHNFXXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N4O2S2/c1-22(23,24)14-30-21-27-17-13-28(10-7-18(17)32-21)9-6-15-2-4-16(5-3-15)26-19(29)12-20-25-8-11-31-20/h8,11,15-16H,2-7,9-10,12-14H2,1H3,(H,26,29).
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-(1,3-thiazol-2-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-(1,3-thiazol-2-yl)acetamide has a molecular weight of 484.64 g/mol, XLogP of 4.30, 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-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 138670439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).