5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione

C9H7FN2S2 — CID 28805699

IUPAC5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione
SMILESNc1sc(=S)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C9H7FN2S2/c10-6-3-1-5(2-4-6)7-8(11)14-9(13)12-7/h1-4H,11H2,(H,12,13)
InChIKeyBIHMCCZRPNKUSL-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.19
Rot. Bonds1

About 5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione

5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione (PubChem CID 28805699) has the molecular formula C9H7FN2S2 and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione
PubChem CID28805699
Molecular FormulaC9H7FN2S2
Molecular Weight226.30 g/mol
Exact Mass226.00
IUPAC Name5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione
SMILESNc1sc(=S)[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C9H7FN2S2/c10-6-3-1-5(2-4-6)7-8(11)14-9(13)12-7/h1-4H,11H2,(H,12,13)
InChIKeyBIHMCCZRPNKUSL-UHFFFAOYSA-N
XLogP3.19
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-(4-bromophenyl)-3H-1,3-thiazole-2-thione
CID 28805751
5-amino-4-(4-methoxyphenyl)-3H-1,3-thiazole-2-thione
CID 28805707
4-(4-tert-butylphenyl)-5-methyl-3H-1,3-thiazole-2-thione
CID 82362733
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
6-fluoro-1,4-dihydroindeno[1,2-d][1,3]thiazole-2-thione
CID 116532289
5-fluoro-3H-1,3-benzothiazole-2-thione
CID 2774531
4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one
CID 123287672
6-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide
CID 123970388
5-(4-fluorophenyl)-1H-pyrrol-2-amine
CID 117223095
5-(4-fluorophenyl)-4-methoxy-1H-pyrazol-3-amine
CID 134439842
5-(4-fluorophenyl)thieno[2,3-d][1,3]dithiole-2-thione
CID 16640443
(1R,7S)-3,5-bis(4-fluorophenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene
CID 10567773

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione (CID 28805699) is 5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione is Nc1sc(=S)[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione?
The InChIKey is BIHMCCZRPNKUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2S2/c10-6-3-1-5(2-4-6)7-8(11)14-9(13)12-7/h1-4H,11H2,(H,12,13).
What are the key properties of 5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione?
5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione has a molecular weight of 226.30 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 28805699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).