2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide

C11H9F3N4O2S — CID 87217174

IUPAC2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(Nc2cccc(C(O)C(F)(F)F)n2)n1
InChIInChI=1S/C11H9F3N4O2S/c12-11(13,14)8(19)5-2-1-3-7(16-5)18-10-17-6(4-21-10)9(15)20/h1-4,8,19H,(H2,15,20)(H,16,17,18)
InChIKeyVEVBYCWWDGISEE-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.98
Rot. Bonds4

About 2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide

2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 87217174) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is 2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID87217174
Molecular FormulaC11H9F3N4O2S
Molecular Weight318.28 g/mol
Exact Mass318.04
IUPAC Name2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(Nc2cccc(C(O)C(F)(F)F)n2)n1
InChIInChI=1S/C11H9F3N4O2S/c12-11(13,14)8(19)5-2-1-3-7(16-5)18-10-17-6(4-21-10)9(15)20/h1-4,8,19H,(H2,15,20)(H,16,17,18)
InChIKeyVEVBYCWWDGISEE-UHFFFAOYSA-N
XLogP1.98
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide (CID 87217174) is 2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(Nc2cccc(C(O)C(F)(F)F)n2)n1.
What is the InChIKey of 2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is VEVBYCWWDGISEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S/c12-11(13,14)8(19)5-2-1-3-7(16-5)18-10-17-6(4-21-10)9(15)20/h1-4,8,19H,(H2,15,20)(H,16,17,18).
What are the key properties of 2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide?
2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 318.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 87217174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).