(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide

C13H11FN2OS — CID 898821

IUPAC(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1csc(NC(=O)/C=C/c2ccc(F)cc2)n1
InChIInChI=1S/C13H11FN2OS/c1-9-8-18-13(15-9)16-12(17)7-4-10-2-5-11(14)6-3-10/h2-8H,1H3,(H,15,16,17)/b7-4+
InChIKeySIXZLACAMDPDQW-QPJJXVBHSA-N
MW262.31 g/mol
LogP3.24
Rot. Bonds3

About (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide

(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 898821) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID898821
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
SMILESCc1csc(NC(=O)/C=C/c2ccc(F)cc2)n1
InChIInChI=1S/C13H11FN2OS/c1-9-8-18-13(15-9)16-12(17)7-4-10-2-5-11(14)6-3-10/h2-8H,1H3,(H,15,16,17)/b7-4+
InChIKeySIXZLACAMDPDQW-QPJJXVBHSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.24
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

(E)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 8502228
3-(4-fluorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4188807
(E)-3-(4-fluorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 6031986
(Z)-3-(1,3-benzodioxol-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 2288778
3-(4-fluorophenyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]prop-2-enamide
CID 72687764
3-(2-chloro-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 71846391
(E)-3-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]prop-2-enamide
CID 7958407
(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26687032
(E)-3-[2-(difluoromethoxy)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 46689077
(E)-3-(2-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 2679319
(E)-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)prop-2-enamide
CID 108768245
3-(3,4-dichlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4609730

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide (CID 898821) is (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide is Cc1csc(NC(=O)/C=C/c2ccc(F)cc2)n1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is SIXZLACAMDPDQW-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H11FN2OS/c1-9-8-18-13(15-9)16-12(17)7-4-10-2-5-11(14)6-3-10/h2-8H,1H3,(H,15,16,17)/b7-4+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 262.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 898821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).