N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide

C14H14FN3OS — CID 9356323

IUPACN-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESC=CCNc1nc(-c2ccc(NC(C)=O)cc2F)cs1
InChIInChI=1S/C14H14FN3OS/c1-3-6-16-14-18-13(8-20-14)11-5-4-10(7-12(11)15)17-9(2)19/h3-5,7-8H,1,6H2,2H3,(H,16,18)(H,17,19)
InChIKeyFZOPKLHXCHPMHO-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.51
Rot. Bonds5

About N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide

N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 9356323) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID9356323
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC NameN-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESC=CCNc1nc(-c2ccc(NC(C)=O)cc2F)cs1
InChIInChI=1S/C14H14FN3OS/c1-3-6-16-14-18-13(8-20-14)11-5-4-10(7-12(11)15)17-9(2)19/h3-5,7-8H,1,6H2,2H3,(H,16,18)(H,17,19)
InChIKeyFZOPKLHXCHPMHO-UHFFFAOYSA-N
XLogP3.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 17404298
trans-(1R,2R)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40856431
N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 17458228
N-[4-[2-(dimethylamino)-1,3-thiazol-4-yl]-3-fluorophenyl]acetamide
CID 9356412
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
CID 56549898
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(phenylcarbamoylamino)propanamide
CID 55461133
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-N',N'-diethylpentanediamide
CID 56521368
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24556422
(E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylprop-2-enamide
CID 24556381
(3S)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 26207190
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide
CID 119275665
methyl 5-[[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]thiophene-2-carboxylate
CID 55824497

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 9356323) is N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide is C=CCNc1nc(-c2ccc(NC(C)=O)cc2F)cs1.
What is the InChIKey of N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is FZOPKLHXCHPMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c1-3-6-16-14-18-13(8-20-14)11-5-4-10(7-12(11)15)17-9(2)19/h3-5,7-8H,1,6H2,2H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 9356323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).