(2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone

C17H20FNOS — CID 24954630

IUPAC(2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone
SMILESCCCCN1C(C)=C(C)S/C1=C\C(=O)c1ccccc1F
InChIInChI=1S/C17H20FNOS/c1-4-5-10-19-12(2)13(3)21-17(19)11-16(20)14-8-6-7-9-15(14)18/h6-9,11H,4-5,10H2,1-3H3/b17-11-
InChIKeyNONPZYYHUAVXQN-BOPFTXTBSA-N
MW305.42 g/mol
LogP4.95
Rot. Bonds5

About (2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone

(2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone (PubChem CID 24954630) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is (2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name(2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone
PubChem CID24954630
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name(2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone
SMILESCCCCN1C(C)=C(C)S/C1=C\C(=O)c1ccccc1F
InChIInChI=1S/C17H20FNOS/c1-4-5-10-19-12(2)13(3)21-17(19)11-16(20)14-8-6-7-9-15(14)18/h6-9,11H,4-5,10H2,1-3H3/b17-11-
InChIKeyNONPZYYHUAVXQN-BOPFTXTBSA-N
XLogP4.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.95
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 (2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone?
The IUPAC name of (2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone (CID 24954630) is (2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for (2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone?
The canonical SMILES for (2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone is CCCCN1C(C)=C(C)S/C1=C\C(=O)c1ccccc1F.
What is the InChIKey of (2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone?
The InChIKey is NONPZYYHUAVXQN-BOPFTXTBSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-4-5-10-19-12(2)13(3)21-17(19)11-16(20)14-8-6-7-9-15(14)18/h6-9,11H,4-5,10H2,1-3H3/b17-11-.
What are the key properties of (2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone?
(2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone has a molecular weight of 305.42 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 24954630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).