[4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone

C16H16F3N3OS — CID 70512506

IUPAC[4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESNc1c(-c2cccc(C(F)(F)F)c2)nsc1C(=O)N1CCCCC1
InChIInChI=1S/C16H16F3N3OS/c17-16(18,19)11-6-4-5-10(9-11)13-12(20)14(24-21-13)15(23)22-7-2-1-3-8-22/h4-6,9H,1-3,7-8,20H2
InChIKeyOCVVKZCOWSFOAJ-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.04
Rot. Bonds2

About [4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone

[4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 70512506) has the molecular formula C16H16F3N3OS and a molecular weight of 355.39 g/mol. Its IUPAC name is [4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID70512506
Molecular FormulaC16H16F3N3OS
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name[4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESNc1c(-c2cccc(C(F)(F)F)c2)nsc1C(=O)N1CCCCC1
InChIInChI=1S/C16H16F3N3OS/c17-16(18,19)11-6-4-5-10(9-11)13-12(20)14(24-21-13)15(23)22-7-2-1-3-8-22/h4-6,9H,1-3,7-8,20H2
InChIKeyOCVVKZCOWSFOAJ-UHFFFAOYSA-N
XLogP4.04
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone (CID 70512506) is [4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone is Nc1c(-c2cccc(C(F)(F)F)c2)nsc1C(=O)N1CCCCC1.
What is the InChIKey of [4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is OCVVKZCOWSFOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3OS/c17-16(18,19)11-6-4-5-10(9-11)13-12(20)14(24-21-13)15(23)22-7-2-1-3-8-22/h4-6,9H,1-3,7-8,20H2.
What are the key properties of [4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone?
[4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 355.39 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 70512506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).