N-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide

C25H35F3N4O2S — CID 148772095

IUPACN-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
SMILESCCC(F)(F)c1conc1C1(F)CCN(CCC2CCC(NC(=O)Cc3cnc(C)s3)CC2)CC1
InChIInChI=1S/C25H35F3N4O2S/c1-3-25(27,28)21-16-34-31-23(21)24(26)9-12-32(13-10-24)11-8-18-4-6-19(7-5-18)30-22(33)14-20-15-29-17(2)35-20/h15-16,18-19H,3-14H2,1-2H3,(H,30,33)
InChIKeyOIPJHHKEXPIMJA-UHFFFAOYSA-N
MW512.64 g/mol
LogP5.51
Rot. Bonds9

About N-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide

N-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide (PubChem CID 148772095) has the molecular formula C25H35F3N4O2S and a molecular weight of 512.64 g/mol. Its IUPAC name is N-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
PubChem CID148772095
Molecular FormulaC25H35F3N4O2S
Molecular Weight512.64 g/mol
Exact Mass512.24
IUPAC NameN-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
SMILESCCC(F)(F)c1conc1C1(F)CCN(CCC2CCC(NC(=O)Cc3cnc(C)s3)CC2)CC1
InChIInChI=1S/C25H35F3N4O2S/c1-3-25(27,28)21-16-34-31-23(21)24(26)9-12-32(13-10-24)11-8-18-4-6-19(7-5-18)30-22(33)14-20-15-29-17(2)35-20/h15-16,18-19H,3-14H2,1-2H3,(H,30,33)
InChIKeyOIPJHHKEXPIMJA-UHFFFAOYSA-N
XLogP5.51
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.64
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide with MolForge

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Related Compounds

N-[4-[2-[4-[4-(1,1-difluoroethyl)-1,2-thiazol-3-yl]piperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 147788179
2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-(2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethyl]cyclohexyl]acetamide
CID 138671913
N-[4-[2-[2-(3,3-difluoroazetidin-1-yl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 138671398
2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
CID 138671156
N-[4-[2-(2-cyclopropyl-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl)ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 138670739
2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]acetamide
CID 138670784
2-(2-methyl-1,3-thiazol-5-yl)-N-[4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetamide
CID 138671906
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
N-[4-[2-[2-(2-methoxypropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 138670386
1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one
CID 159431458
N-cyclohexyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61282582
1-(2-methyl-1,3-thiazol-5-yl)-3-[4-[2-[1-(4,4,4-trifluorobutyl)-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one
CID 162136302

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide (CID 148772095) is N-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide is CCC(F)(F)c1conc1C1(F)CCN(CCC2CCC(NC(=O)Cc3cnc(C)s3)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is OIPJHHKEXPIMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F3N4O2S/c1-3-25(27,28)21-16-34-31-23(21)24(26)9-12-32(13-10-24)11-8-18-4-6-19(7-5-18)30-22(33)14-20-15-29-17(2)35-20/h15-16,18-19H,3-14H2,1-2H3,(H,30,33).
What are the key properties of N-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
N-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 512.64 g/mol, XLogP of 5.51, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[4-(1,1-difluoropropyl)-1,2-oxazol-3-yl]-4-fluoropiperidin-1-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 148772095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).