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

C11H16F3N5OS — CID 103381694

IUPAC3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H16F3N5OS/c1-16-9(20)7-8(15)17-21-10(7)19-4-2-18(3-5-19)6-11(12,13)14/h2-6H2,1H3,(H2,15,17)(H,16,20)
InChIKeyHXQOIEWIZYJHOT-UHFFFAOYSA-N
MW323.34 g/mol
LogP0.77
Rot. Bonds3

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

3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide (PubChem CID 103381694) has the molecular formula C11H16F3N5OS and a molecular weight of 323.34 g/mol. Its IUPAC name is 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide
PubChem CID103381694
Molecular FormulaC11H16F3N5OS
Molecular Weight323.34 g/mol
Exact Mass323.10
IUPAC Name3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H16F3N5OS/c1-16-9(20)7-8(15)17-21-10(7)19-4-2-18(3-5-19)6-11(12,13)14/h2-6H2,1H3,(H2,15,17)(H,16,20)
InChIKeyHXQOIEWIZYJHOT-UHFFFAOYSA-N
XLogP0.77
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide (CID 103381694) is 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide?
The InChIKey is HXQOIEWIZYJHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5OS/c1-16-9(20)7-8(15)17-21-10(7)19-4-2-18(3-5-19)6-11(12,13)14/h2-6H2,1H3,(H2,15,17)(H,16,20).
What are the key properties of 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide?
3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 323.34 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103381694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).