5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine

C8H9FN2S — CID 155700027

IUPAC5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine
SMILESC=C(/C=C/F)Cc1cnc(N)s1
InChIInChI=1S/C8H9FN2S/c1-6(2-3-9)4-7-5-11-8(10)12-7/h2-3,5H,1,4H2,(H2,10,11)/b3-2+
InChIKeyQTUPARGNCVARJL-NSCUHMNNSA-N
MW184.24 g/mol
LogP2.31
Rot. Bonds3

About 5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine

5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine (PubChem CID 155700027) has the molecular formula C8H9FN2S and a molecular weight of 184.24 g/mol. Its IUPAC name is 5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine
PubChem CID155700027
Molecular FormulaC8H9FN2S
Molecular Weight184.24 g/mol
Exact Mass184.05
IUPAC Name5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine
SMILESC=C(/C=C/F)Cc1cnc(N)s1
InChIInChI=1S/C8H9FN2S/c1-6(2-3-9)4-7-5-11-8(10)12-7/h2-3,5H,1,4H2,(H2,10,11)/b3-2+
InChIKeyQTUPARGNCVARJL-NSCUHMNNSA-N
XLogP2.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-1,3-thiazol-2-amine
CID 12737257
5-Propyl-1,3-thiazol-2-amine
CID 3282236
5-(Propan-2-yl)-1,3-thiazol-2-amine
CID 10486954
5-Cyclobutyl-1,3-thiazol-2-amine
CID 12991423
5-Cyclopropyl-1,3-thiazol-2-amine
CID 22170679
5-Cyclohexyl-2-thiazolamine
CID 71758630
5-[(2-Amino-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 16120911
5-(2,2,2-Trifluoroethyl)thiazol-2-amine
CID 86619051
5-(5-Fluorocyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine
CID 89224266
5-(3,4-Difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine
CID 89285576
5-[(2Z,4Z)-4-[(2S)-2-amino-3-fluoropropyl]hepta-2,4,6-trienyl]-1,3-thiazol-2-amine
CID 129313077
5-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]-1,3-thiazol-2-amine
CID 143724154

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine (CID 155700027) is 5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine is C=C(/C=C/F)Cc1cnc(N)s1.
What is the InChIKey of 5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine?
The InChIKey is QTUPARGNCVARJL-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H9FN2S/c1-6(2-3-9)4-7-5-11-8(10)12-7/h2-3,5H,1,4H2,(H2,10,11)/b3-2+.
What are the key properties of 5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine?
5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine has a molecular weight of 184.24 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-4-fluoro-2-methylidenebut-3-enyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155700027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).