4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C9H9F3N2OS — CID 110676609

IUPAC4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESC=CCNC(=O)c1sc(C(F)(F)F)nc1C
InChIInChI=1S/C9H9F3N2OS/c1-3-4-13-7(15)6-5(2)14-8(16-6)9(10,11)12/h3H,1,4H2,2H3,(H,13,15)
InChIKeyYCIFEPQSLMQDIX-UHFFFAOYSA-N
MW250.24 g/mol
LogP2.39
Rot. Bonds3

About 4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110676609) has the molecular formula C9H9F3N2OS and a molecular weight of 250.24 g/mol. Its IUPAC name is 4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID110676609
Molecular FormulaC9H9F3N2OS
Molecular Weight250.24 g/mol
Exact Mass250.04
IUPAC Name4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESC=CCNC(=O)c1sc(C(F)(F)F)nc1C
InChIInChI=1S/C9H9F3N2OS/c1-3-4-13-7(15)6-5(2)14-8(16-6)9(10,11)12/h3H,1,4H2,2H3,(H,13,15)
InChIKeyYCIFEPQSLMQDIX-UHFFFAOYSA-N
XLogP2.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 110676609) is 4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is C=CCNC(=O)c1sc(C(F)(F)F)nc1C.
What is the InChIKey of 4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YCIFEPQSLMQDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2OS/c1-3-4-13-7(15)6-5(2)14-8(16-6)9(10,11)12/h3H,1,4H2,2H3,(H,13,15).
What are the key properties of 4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 250.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-prop-2-enyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110676609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).