2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C11H16F3N3OS — CID 55116254

IUPAC2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1csc(N)n1
InChIInChI=1S/C11H16F3N3OS/c1-3-7(4-2)17(6-11(12,13)14)9(18)8-5-19-10(15)16-8/h5,7H,3-4,6H2,1-2H3,(H2,15,16)
InChIKeyBVHRLTFFVUMOIG-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.92
Rot. Bonds5

About 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 55116254) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID55116254
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1csc(N)n1
InChIInChI=1S/C11H16F3N3OS/c1-3-7(4-2)17(6-11(12,13)14)9(18)8-5-19-10(15)16-8/h5,7H,3-4,6H2,1-2H3,(H2,15,16)
InChIKeyBVHRLTFFVUMOIG-UHFFFAOYSA-N
XLogP2.92
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 55116254) is 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BVHRLTFFVUMOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-3-7(4-2)17(6-11(12,13)14)9(18)8-5-19-10(15)16-8/h5,7H,3-4,6H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 295.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55116254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).