2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide

C18H24F3N3OS — CID 166286599

IUPAC2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC12CCC(C(F)(F)F)(CC1)C2)c1cnc(CC2CCNCC2)s1
InChIInChI=1S/C18H24F3N3OS/c19-18(20,21)16-3-5-17(11-16,6-4-16)24-15(25)13-10-23-14(26-13)9-12-1-7-22-8-2-12/h10,12,22H,1-9,11H2,(H,24,25)
InChIKeyDEPIJRWFNUIXKZ-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.68
Rot. Bonds4

About 2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide

2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide (PubChem CID 166286599) has the molecular formula C18H24F3N3OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide
PubChem CID166286599
Molecular FormulaC18H24F3N3OS
Molecular Weight387.47 g/mol
Exact Mass387.16
IUPAC Name2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC12CCC(C(F)(F)F)(CC1)C2)c1cnc(CC2CCNCC2)s1
InChIInChI=1S/C18H24F3N3OS/c19-18(20,21)16-3-5-17(11-16,6-4-16)24-15(25)13-10-23-14(26-13)9-12-1-7-22-8-2-12/h10,12,22H,1-9,11H2,(H,24,25)
InChIKeyDEPIJRWFNUIXKZ-UHFFFAOYSA-N
XLogP3.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 48591877
2-propyl-N-(1,3,3-trimethylcyclopentyl)-1,3-thiazole-5-carboxamide
CID 166343263

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide (CID 166286599) is 2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide is O=C(NC12CCC(C(F)(F)F)(CC1)C2)c1cnc(CC2CCNCC2)s1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DEPIJRWFNUIXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3OS/c19-18(20,21)16-3-5-17(11-16,6-4-16)24-15(25)13-10-23-14(26-13)9-12-1-7-22-8-2-12/h10,12,22H,1-9,11H2,(H,24,25).
What are the key properties of 2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide?
2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166286599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).