(2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone

C17H20FNOS — CID 69324003

IUPAC(2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone
SMILESCCCCN1C(C)=CS/C1=C\C(=O)c1cc(F)ccc1C
InChIInChI=1S/C17H20FNOS/c1-4-5-8-19-13(3)11-21-17(19)10-16(20)15-9-14(18)7-6-12(15)2/h6-7,9-11H,4-5,8H2,1-3H3/b17-10-
InChIKeyOKUNAZOVLGBASD-YVLHZVERSA-N
MW305.42 g/mol
LogP4.87
Rot. Bonds5

About (2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone

(2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 69324003) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is (2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name(2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone
PubChem CID69324003
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name(2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone
SMILESCCCCN1C(C)=CS/C1=C\C(=O)c1cc(F)ccc1C
InChIInChI=1S/C17H20FNOS/c1-4-5-8-19-13(3)11-21-17(19)10-16(20)15-9-14(18)7-6-12(15)2/h6-7,9-11H,4-5,8H2,1-3H3/b17-10-
InChIKeyOKUNAZOVLGBASD-YVLHZVERSA-N
XLogP4.87
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 ≤ 54.87
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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Related Compounds

(2Z)-2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone
CID 69188065
2-(3-butyl-4,5-dimethyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone
CID 69188067
(2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-chloro-2-fluorophenyl)ethanone
CID 69321127
(2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(3-chloro-1-benzothiophen-2-yl)ethanone
CID 24955694
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324
(E)-1-(5-fluoro-2-methylphenyl)pent-2-en-1-one
CID 103454335
2-(3-butyl-4-tert-butyl-1,3-thiazol-2-ylidene)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 69323133
(3E)-1-butyl-5-fluoro-3-[2-(4-methylphenyl)-2-oxoethylidene]indol-2-one
CID 139227637
3-butoxy-1-(5-fluoro-2-methylphenyl)propan-1-one
CID 115002060
(E)-3-(dimethylamino)-1-(5-fluoro-2-methylphenyl)prop-2-en-1-one;ethane
CID 123936129
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
(4-bromo-1-propylpyrazol-5-yl)-(5-fluoro-2-methylphenyl)methanone
CID 114639719

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone?
The IUPAC name of (2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone (CID 69324003) is (2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for (2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for (2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone is CCCCN1C(C)=CS/C1=C\C(=O)c1cc(F)ccc1C.
What is the InChIKey of (2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone?
The InChIKey is OKUNAZOVLGBASD-YVLHZVERSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-4-5-8-19-13(3)11-21-17(19)10-16(20)15-9-14(18)7-6-12(15)2/h6-7,9-11H,4-5,8H2,1-3H3/b17-10-.
What are the key properties of (2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone?
(2Z)-2-(3-butyl-4-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone has a molecular weight of 305.42 g/mol, XLogP of 4.87, 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-methyl-1,3-thiazol-2-ylidene)-1-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 69324003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).