N-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide

C13H12F3N3O2S — CID 117090546

IUPACN-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCO)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C13H12F3N3O2S/c14-13(15,16)8-1-3-9(4-2-8)19-12-18-7-10(22-12)11(21)17-5-6-20/h1-4,7,20H,5-6H2,(H,17,21)(H,18,19)
InChIKeyGOEWQMJEWSELBO-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.63
Rot. Bonds5

About N-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide

N-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (PubChem CID 117090546) has the molecular formula C13H12F3N3O2S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
PubChem CID117090546
Molecular FormulaC13H12F3N3O2S
Molecular Weight331.32 g/mol
Exact Mass331.06
IUPAC NameN-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCO)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C13H12F3N3O2S/c14-13(15,16)8-1-3-9(4-2-8)19-12-18-7-10(22-12)11(21)17-5-6-20/h1-4,7,20H,5-6H2,(H,17,21)(H,18,19)
InChIKeyGOEWQMJEWSELBO-UHFFFAOYSA-N
XLogP2.63
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (CID 117090546) is N-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is O=C(NCCO)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The InChIKey is GOEWQMJEWSELBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2S/c14-13(15,16)8-1-3-9(4-2-8)19-12-18-7-10(22-12)11(21)17-5-6-20/h1-4,7,20H,5-6H2,(H,17,21)(H,18,19).
What are the key properties of N-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
N-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117090546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).