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

C15H20F3N3OS — CID 75497427

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(Cc2nc3c(s2)CCC3)C1
InChIInChI=1S/C15H20F3N3OS/c16-15(17,18)9-19-14(22)10-3-2-6-21(7-10)8-13-20-11-4-1-5-12(11)23-13/h10H,1-9H2,(H,19,22)
InChIKeyIGOXFLBTFGFZCI-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.52
Rot. Bonds4

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

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 75497427) has the molecular formula C15H20F3N3OS and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID75497427
Molecular FormulaC15H20F3N3OS
Molecular Weight347.41 g/mol
Exact Mass347.13
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(Cc2nc3c(s2)CCC3)C1
InChIInChI=1S/C15H20F3N3OS/c16-15(17,18)9-19-14(22)10-3-2-6-21(7-10)8-13-20-11-4-1-5-12(11)23-13/h10H,1-9H2,(H,19,22)
InChIKeyIGOXFLBTFGFZCI-UHFFFAOYSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 75497427) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCN(Cc2nc3c(s2)CCC3)C1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is IGOXFLBTFGFZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3OS/c16-15(17,18)9-19-14(22)10-3-2-6-21(7-10)8-13-20-11-4-1-5-12(11)23-13/h10H,1-9H2,(H,19,22).
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 75497427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).