N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

C11H13F3N2OS — CID 91942836

IUPACN-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C=Cc1cscn1
InChIInChI=1S/C11H13F3N2OS/c1-8(2)16(6-11(12,13)14)10(17)4-3-9-5-18-7-15-9/h3-5,7-8H,6H2,1-2H3
InChIKeyWWGBKMFMJCXOLS-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.96
Rot. Bonds4

About N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide

N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (PubChem CID 91942836) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
PubChem CID91942836
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC NameN-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C=Cc1cscn1
InChIInChI=1S/C11H13F3N2OS/c1-8(2)16(6-11(12,13)14)10(17)4-3-9-5-18-7-15-9/h3-5,7-8H,6H2,1-2H3
InChIKeyWWGBKMFMJCXOLS-UHFFFAOYSA-N
XLogP2.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The IUPAC name of N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide (CID 91942836) is N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide.
What is the SMILES notation for N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The canonical SMILES for N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide is CC(C)N(CC(F)(F)F)C(=O)C=Cc1cscn1.
What is the InChIKey of N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
The InChIKey is WWGBKMFMJCXOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-8(2)16(6-11(12,13)14)10(17)4-3-9-5-18-7-15-9/h3-5,7-8H,6H2,1-2H3.
What are the key properties of N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide?
N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide has a molecular weight of 278.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide is sourced from PubChem (CID 91942836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).