2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide

C11H9F3N2O2S2 — CID 103726445

IUPAC2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H9F3N2O2S2/c12-11(13,14)8(17)3-15-9(18)7-5-20-10(16-7)6-1-2-19-4-6/h1-2,4-5,8,17H,3H2,(H,15,18)
InChIKeyZFWMBNGZISEUEK-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.52
Rot. Bonds4

About 2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide

2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 103726445) has the molecular formula C11H9F3N2O2S2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID103726445
Molecular FormulaC11H9F3N2O2S2
Molecular Weight322.33 g/mol
Exact Mass322.01
IUPAC Name2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H9F3N2O2S2/c12-11(13,14)8(17)3-15-9(18)7-5-20-10(16-7)6-1-2-19-4-6/h1-2,4-5,8,17H,3H2,(H,15,18)
InChIKeyZFWMBNGZISEUEK-UHFFFAOYSA-N
XLogP2.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide (CID 103726445) is 2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide is O=C(NCC(O)C(F)(F)F)c1csc(-c2ccsc2)n1.
What is the InChIKey of 2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZFWMBNGZISEUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S2/c12-11(13,14)8(17)3-15-9(18)7-5-20-10(16-7)6-1-2-19-4-6/h1-2,4-5,8,17H,3H2,(H,15,18).
What are the key properties of 2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide?
2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103726445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).