(3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H17F3N4OS — CID 95903175

IUPAC(3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN(Cc2cn3ccsc3n2)C1
InChIInChI=1S/C14H17F3N4OS/c15-14(16,17)9-18-12(22)10-2-1-3-20(6-10)7-11-8-21-4-5-23-13(21)19-11/h4-5,8,10H,1-3,6-7,9H2,(H,18,22)/t10-/m0/s1
InChIKeyAFQXEWGNYDLSFK-JTQLQIEISA-N
MW346.38 g/mol
LogP2.29
Rot. Bonds4

About (3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 95903175) has the molecular formula C14H17F3N4OS and a molecular weight of 346.38 g/mol. Its IUPAC name is (3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID95903175
Molecular FormulaC14H17F3N4OS
Molecular Weight346.38 g/mol
Exact Mass346.11
IUPAC Name(3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN(Cc2cn3ccsc3n2)C1
InChIInChI=1S/C14H17F3N4OS/c15-14(16,17)9-18-12(22)10-2-1-3-20(6-10)7-11-8-21-4-5-23-13(21)19-11/h4-5,8,10H,1-3,6-7,9H2,(H,18,22)/t10-/m0/s1
InChIKeyAFQXEWGNYDLSFK-JTQLQIEISA-N
XLogP2.29
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 95903175) is (3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)[C@H]1CCCN(Cc2cn3ccsc3n2)C1.
What is the InChIKey of (3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is AFQXEWGNYDLSFK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17F3N4OS/c15-14(16,17)9-18-12(22)10-2-1-3-20(6-10)7-11-8-21-4-5-23-13(21)19-11/h4-5,8,10H,1-3,6-7,9H2,(H,18,22)/t10-/m0/s1.
What are the key properties of (3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95903175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).