N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide

C11H9F3N2OS2 — CID 71993344

IUPACN-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)c1ccsc1
InChIInChI=1S/C11H9F3N2OS2/c12-11(13,14)8-6-19-9(16-8)1-3-15-10(17)7-2-4-18-5-7/h2,4-6H,1,3H2,(H,15,17)
InChIKeyAOTGWCRYNYJNQQ-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.20
Rot. Bonds4

About N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide

N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide (PubChem CID 71993344) has the molecular formula C11H9F3N2OS2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide
PubChem CID71993344
Molecular FormulaC11H9F3N2OS2
Molecular Weight306.33 g/mol
Exact Mass306.01
IUPAC NameN-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)c1ccsc1
InChIInChI=1S/C11H9F3N2OS2/c12-11(13,14)8-6-19-9(16-8)1-3-15-10(17)7-2-4-18-5-7/h2,4-6H,1,3H2,(H,15,17)
InChIKeyAOTGWCRYNYJNQQ-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

2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 53149509
N-(2-{2-[1-(Thiophene-3-carbonyl)piperidin-3-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841720
2-methyl-N-(2-{2-[1-(3-thienylcarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl}ethyl)propanamide
CID 71841753
N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841793
N-(2-{2-[1-(Thiophene-3-carbonyl)piperidin-4-YL]-1,3-thiazol-4-YL}ethyl)cyclopropanecarboxamide
CID 71841905
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 45887477
2-(1,3-Thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 138034147
1-[(2-Thiophen-3-yl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 30835750
N-(4-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)thiazol-2-yl)thiophene-3-carboxamide
CID 45497642
2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 47120048
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 49073738
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 52252995

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide (CID 71993344) is N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide is O=C(NCCc1nc(C(F)(F)F)cs1)c1ccsc1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is AOTGWCRYNYJNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS2/c12-11(13,14)8-6-19-9(16-8)1-3-15-10(17)7-2-4-18-5-7/h2,4-6H,1,3H2,(H,15,17).
What are the key properties of N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide?
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 71993344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).