N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C14H18F3N3OS — CID 75414994

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3OS/c15-14(16,17)8-20-6-4-9(5-7-20)12(21)19-13-18-10-2-1-3-11(10)22-13/h9H,1-8H2,(H,18,19,21)
InChIKeyDGCIOOHHAQETEH-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.84
Rot. Bonds3

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 75414994) has the molecular formula C14H18F3N3OS and a molecular weight of 333.38 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID75414994
Molecular FormulaC14H18F3N3OS
Molecular Weight333.38 g/mol
Exact Mass333.11
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3OS/c15-14(16,17)8-20-6-4-9(5-7-20)12(21)19-13-18-10-2-1-3-11(10)22-13/h9H,1-8H2,(H,18,19,21)
InChIKeyDGCIOOHHAQETEH-UHFFFAOYSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 75414994) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(Nc1nc2c(s1)CCC2)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is DGCIOOHHAQETEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3OS/c15-14(16,17)8-20-6-4-9(5-7-20)12(21)19-13-18-10-2-1-3-11(10)22-13/h9H,1-8H2,(H,18,19,21).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 75414994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).