2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C12H11F3N2O2S2 — CID 103726270

IUPAC2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCC(O)C(F)(F)F
InChIInChI=1S/C12H11F3N2O2S2/c13-12(14,15)9(18)4-16-10(19)3-8-6-21-11(17-8)7-1-2-20-5-7/h1-2,5-6,9,18H,3-4H2,(H,16,19)
InChIKeyJIFGEMZMGJWUAX-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.45
Rot. Bonds5

About 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103726270) has the molecular formula C12H11F3N2O2S2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103726270
Molecular FormulaC12H11F3N2O2S2
Molecular Weight336.36 g/mol
Exact Mass336.02
IUPAC Name2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NCC(O)C(F)(F)F
InChIInChI=1S/C12H11F3N2O2S2/c13-12(14,15)9(18)4-16-10(19)3-8-6-21-11(17-8)7-1-2-20-5-7/h1-2,5-6,9,18H,3-4H2,(H,16,19)
InChIKeyJIFGEMZMGJWUAX-UHFFFAOYSA-N
XLogP2.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]acetamide
CID 56155283
Ethyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetate
CID 56181411
N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-3-carboxamide
CID 71993344
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81339960
2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723348
2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 103726445
4-methyl-2-thiophen-3-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 103726448
N-(3,3-difluoro-2-hydroxypropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103769877
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 103769885
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 103770103

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103726270) is 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(Cc1csc(-c2ccsc2)n1)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is JIFGEMZMGJWUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S2/c13-12(14,15)9(18)4-16-10(19)3-8-6-21-11(17-8)7-1-2-20-5-7/h1-2,5-6,9,18H,3-4H2,(H,16,19).
What are the key properties of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 336.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103726270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).