3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide

C7H5F3N2OS — CID 169481820

IUPAC3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESNC(=O)C=Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H5F3N2OS/c8-7(9,10)4-3-14-6(12-4)2-1-5(11)13/h1-3H,(H2,11,13)
InChIKeyDEOCSYZOBHURIY-UHFFFAOYSA-N
MW222.19 g/mol
LogP1.66
Rot. Bonds2

About 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide

3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 169481820) has the molecular formula C7H5F3N2OS and a molecular weight of 222.19 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID169481820
Molecular FormulaC7H5F3N2OS
Molecular Weight222.19 g/mol
Exact Mass222.01
IUPAC Name3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESNC(=O)C=Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H5F3N2OS/c8-7(9,10)4-3-14-6(12-4)2-1-5(11)13/h1-3H,(H2,11,13)
InChIKeyDEOCSYZOBHURIY-UHFFFAOYSA-N
XLogP1.66
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

S-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]but-3-enyl] ethanethioate
CID 170480154
3-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]prop-2-enamide
CID 169482785
3-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 154034463
adamantane-1-carboxamide;4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 159597306
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]formamide
CID 143219890
2-hexyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]octan-1-one
CID 138627846
2-[(Z)-prop-1-enyl]-1,3-thiazole-4-carboxamide
CID 59217959
2-oxo-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]acetaldehyde
CID 146422842
3-[4-(trifluoromethyl)-2-pyridinyl]prop-2-enamide
CID 169482100
(1R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanamine
CID 92669559
2-[(E)-2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]ethenyl]-1,3-thiazole-4-carboxylic acid
CID 167968760
2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride
CID 119328988

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 169481820) is 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide is NC(=O)C=Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is DEOCSYZOBHURIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2OS/c8-7(9,10)4-3-14-6(12-4)2-1-5(11)13/h1-3H,(H2,11,13).
What are the key properties of 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide?
3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 222.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 169481820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).