N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C11H9F3N2OS2 — CID 122152494

IUPACN-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1ccsc1)c1scnc1C(F)(F)F
InChIInChI=1S/C11H9F3N2OS2/c12-11(13,14)9-8(19-6-16-9)10(17)15-3-1-7-2-4-18-5-7/h2,4-6H,1,3H2,(H,15,17)
InChIKeyUMFKQXKHBPKAMQ-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.20
Rot. Bonds4

About N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 122152494) has the molecular formula C11H9F3N2OS2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID122152494
Molecular FormulaC11H9F3N2OS2
Molecular Weight306.33 g/mol
Exact Mass306.01
IUPAC NameN-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1ccsc1)c1scnc1C(F)(F)F
InChIInChI=1S/C11H9F3N2OS2/c12-11(13,14)9-8(19-6-16-9)10(17)15-3-1-7-2-4-18-5-7/h2,4-6H,1,3H2,(H,15,17)
InChIKeyUMFKQXKHBPKAMQ-UHFFFAOYSA-N
XLogP3.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558434
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide
CID 170939358
4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113352919
N-(2-thiophen-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 110475807
4-hydrazinyl-N-(2-thiophen-3-ylethyl)pyridine-2-carboxamide
CID 62249508
2,6-dihydroxy-N-(2-thiophen-3-ylethyl)benzamide
CID 103890273
N-(2-thiophen-3-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958029
6-(ethylamino)-N-(2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 62176103
1-chloro-N-(2-thiophen-3-ylethyl)isoquinoline-4-carboxamide
CID 106766100
3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
CID 81489154
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 154842826

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 122152494) is N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(NCCc1ccsc1)c1scnc1C(F)(F)F.
What is the InChIKey of N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is UMFKQXKHBPKAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS2/c12-11(13,14)9-8(19-6-16-9)10(17)15-3-1-7-2-4-18-5-7/h2,4-6H,1,3H2,(H,15,17).
What are the key properties of N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122152494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).