2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C12H10F3N3O2S — CID 5168236

IUPAC2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)20-9-3-1-8(2-4-9)17-10(19)7-18-5-6-21-11(18)16/h1-6,16H,7H2,(H,17,19)/b16-11-
InChIKeyXMXIKVBNNSMEKN-WJDWOHSUSA-N
MW317.29 g/mol
LogP2.57
Rot. Bonds4

About 2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 5168236) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID5168236
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILES[H]/N=c1\sccn1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)20-9-3-1-8(2-4-9)17-10(19)7-18-5-6-21-11(18)16/h1-6,16H,7H2,(H,17,19)/b16-11-
InChIKeyXMXIKVBNNSMEKN-WJDWOHSUSA-N
XLogP2.57
TPSA67.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-imino-1,3-thiazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 2608047
N-(3,4-dimethoxyphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 4537458
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
2-(2-ethylimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 75390344
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 46396004
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309
3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 4913564
2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 44789313
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 5168236) is 2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is [H]/N=c1\sccn1CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is XMXIKVBNNSMEKN-WJDWOHSUSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)20-9-3-1-8(2-4-9)17-10(19)7-18-5-6-21-11(18)16/h1-6,16H,7H2,(H,17,19)/b16-11-.
What are the key properties of 2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 317.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-1,3-thiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 5168236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).