2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C7H8F3N3OS — CID 62795554

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1nc(CC(=O)NCC(F)(F)F)cs1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)3-12-5(14)1-4-2-15-6(11)13-4/h2H,1,3H2,(H2,11,13)(H,12,14)
InChIKeyVRTSDIKMWFZGTF-UHFFFAOYSA-N
MW239.22 g/mol
LogP0.95
Rot. Bonds3

About 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62795554) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62795554
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1nc(CC(=O)NCC(F)(F)F)cs1
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)3-12-5(14)1-4-2-15-6(11)13-4/h2H,1,3H2,(H2,11,13)(H,12,14)
InChIKeyVRTSDIKMWFZGTF-UHFFFAOYSA-N
XLogP0.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 63227328
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2-dimethylbutyl)acetamide
CID 103461497
2-(2-amino-1,3-thiazol-4-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 104761336
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106276823
2-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430327
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
(2S)-2-amino-3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 87289710
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798228
2-(2-amino-1,3-thiazol-4-yl)-N-formylacetamide
CID 56988029
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 62795554) is 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is Nc1nc(CC(=O)NCC(F)(F)F)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VRTSDIKMWFZGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c8-7(9,10)3-12-5(14)1-4-2-15-6(11)13-4/h2H,1,3H2,(H2,11,13)(H,12,14).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 239.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62795554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).