2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C14H13F3N4O2S — CID 21321154

IUPAC2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCNC(=O)Nc1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C14H13F3N4O2S/c1-18-12(23)21-13-20-10(7-24-13)6-11(22)19-9-4-2-3-8(5-9)14(15,16)17/h2-5,7H,6H2,1H3,(H,19,22)(H2,18,20,21,23)
InChIKeyWIACYAPQWMYVTL-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.09
Rot. Bonds4

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

2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 21321154) has the molecular formula C14H13F3N4O2S and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID21321154
Molecular FormulaC14H13F3N4O2S
Molecular Weight358.35 g/mol
Exact Mass358.07
IUPAC Name2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCNC(=O)Nc1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)cs1
InChIInChI=1S/C14H13F3N4O2S/c1-18-12(23)21-13-20-10(7-24-13)6-11(22)19-9-4-2-3-8(5-9)14(15,16)17/h2-5,7H,6H2,1H3,(H,19,22)(H2,18,20,21,23)
InChIKeyWIACYAPQWMYVTL-UHFFFAOYSA-N
XLogP3.09
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30859922
[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]amino] acetate
CID 21321153
N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940674
N-(3-chloro-4-fluorophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940704
N,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide
CID 21321161
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155
2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110389693
N-(3-acetamidophenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211959
N-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 27397465
N-(3-fluorophenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567657
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689
N-(3-acetamidophenyl)-2-[2-[4-(trifluoromethoxy)anilino]-1,3-thiazol-4-yl]acetamide
CID 30941086

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 21321154) is 2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is CNC(=O)Nc1nc(CC(=O)Nc2cccc(C(F)(F)F)c2)cs1.
What is the InChIKey of 2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WIACYAPQWMYVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2S/c1-18-12(23)21-13-20-10(7-24-13)6-11(22)19-9-4-2-3-8(5-9)14(15,16)17/h2-5,7H,6H2,1H3,(H,19,22)(H2,18,20,21,23).
What are the key properties of 2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 358.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 21321154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).