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

C8H10F3N3O2S — CID 55115783

IUPAC2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)N(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)4-14(1-2-15)6(16)5-3-17-7(12)13-5/h3,15H,1-2,4H2,(H2,12,13)
InChIKeyFTYUEWIUMNMRCV-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.72
Rot. Bonds4

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

2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 55115783) has the molecular formula C8H10F3N3O2S and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID55115783
Molecular FormulaC8H10F3N3O2S
Molecular Weight269.25 g/mol
Exact Mass269.04
IUPAC Name2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)N(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C8H10F3N3O2S/c9-8(10,11)4-14(1-2-15)6(16)5-3-17-7(12)13-5/h3,15H,1-2,4H2,(H2,12,13)
InChIKeyFTYUEWIUMNMRCV-UHFFFAOYSA-N
XLogP0.72
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 55115783) is 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)N(CCO)CC(F)(F)F)cs1.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FTYUEWIUMNMRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2S/c9-8(10,11)4-14(1-2-15)6(16)5-3-17-7(12)13-5/h3,15H,1-2,4H2,(H2,12,13).
What are the key properties of 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 269.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55115783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).