3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide

C11H15F3N4OS — CID 103382179

IUPAC3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N4OS/c1-16-9(19)7-8(15)17-20-10(7)18-4-2-6(3-5-18)11(12,13)14/h6H,2-5H2,1H3,(H2,15,17)(H,16,19)
InChIKeyKIYJMFDEUMYIJX-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.86
Rot. Bonds2

About 3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide

3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide (PubChem CID 103382179) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide
PubChem CID103382179
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC Name3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N4OS/c1-16-9(19)7-8(15)17-20-10(7)18-4-2-6(3-5-18)11(12,13)14/h6H,2-5H2,1H3,(H2,15,17)(H,16,19)
InChIKeyKIYJMFDEUMYIJX-UHFFFAOYSA-N
XLogP1.86
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide (CID 103382179) is 3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide?
The InChIKey is KIYJMFDEUMYIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c1-16-9(19)7-8(15)17-20-10(7)18-4-2-6(3-5-18)11(12,13)14/h6H,2-5H2,1H3,(H2,15,17)(H,16,19).
What are the key properties of 3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).