5-amino-4-phenyl-3H-1,3-thiazole-2-thione

C9H8N2S2 — CID 3001791

IUPAC5-amino-4-phenyl-3H-1,3-thiazole-2-thione
SMILESNc1sc(=S)[nH]c1-c1ccccc1
InChIInChI=1S/C9H8N2S2/c10-8-7(11-9(12)13-8)6-4-2-1-3-5-6/h1-5H,10H2,(H,11,12)
InChIKeyDFBLEVVSFACJOY-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.05
Rot. Bonds1

About 5-amino-4-phenyl-3H-1,3-thiazole-2-thione

5-amino-4-phenyl-3H-1,3-thiazole-2-thione (PubChem CID 3001791) has the molecular formula C9H8N2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-amino-4-phenyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-amino-4-phenyl-3H-1,3-thiazole-2-thione
PubChem CID3001791
Molecular FormulaC9H8N2S2
Molecular Weight208.31 g/mol
Exact Mass208.01
IUPAC Name5-amino-4-phenyl-3H-1,3-thiazole-2-thione
SMILESNc1sc(=S)[nH]c1-c1ccccc1
InChIInChI=1S/C9H8N2S2/c10-8-7(11-9(12)13-8)6-4-2-1-3-5-6/h1-5H,10H2,(H,11,12)
InChIKeyDFBLEVVSFACJOY-UHFFFAOYSA-N
XLogP3.05
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.05
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

2(3H)-Thiazolethione, 4-phenyl-
CID 3000729
4-(4-Fluorophenyl)-1,3-thiazole-2-thiol
CID 716719
4-(4-Methylphenyl)-1,3-thiazole-2-thiol
CID 820765
Methyl N-(phenylmethyl)carbamodithioate
CID 3032509
N-Methylbenzenecarbothioamide
CID 3034652
4,5-Diphenyl-2-imidazolethiol
CID 679479
AG-670/15095002
CID 831515
Carbamic acid, benzyldithio-, ethyl ester
CID 3032415
Carbamic acid, benzyldithio-, allyl ester
CID 3032712
N-benzylcarbamodithioate
CID 23322626
4-[4-(Trifluoromethyl)phenyl]thiazole-2-thiol
CID 21409007
4-(2-sulfanylidene-3H-1,3-thiazol-4-yl)benzonitrile
CID 21937006

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-phenyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-amino-4-phenyl-3H-1,3-thiazole-2-thione (CID 3001791) is 5-amino-4-phenyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-amino-4-phenyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-amino-4-phenyl-3H-1,3-thiazole-2-thione is Nc1sc(=S)[nH]c1-c1ccccc1.
What is the InChIKey of 5-amino-4-phenyl-3H-1,3-thiazole-2-thione?
The InChIKey is DFBLEVVSFACJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S2/c10-8-7(11-9(12)13-8)6-4-2-1-3-5-6/h1-5H,10H2,(H,11,12).
What are the key properties of 5-amino-4-phenyl-3H-1,3-thiazole-2-thione?
5-amino-4-phenyl-3H-1,3-thiazole-2-thione has a molecular weight of 208.31 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-phenyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 3001791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).