4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione

C14H13N3S2 — CID 55259317

IUPAC4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione
SMILESS=c1[nH]cc(-c2ccccc2)n1CCc1cscn1
InChIInChI=1S/C14H13N3S2/c18-14-15-8-13(11-4-2-1-3-5-11)17(14)7-6-12-9-19-10-16-12/h1-5,8-10H,6-7H2,(H,15,18)
InChIKeyVBMIPPYBRJWLNS-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.91
Rot. Bonds4

About 4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione

4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione (PubChem CID 55259317) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione
PubChem CID55259317
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione
SMILESS=c1[nH]cc(-c2ccccc2)n1CCc1cscn1
InChIInChI=1S/C14H13N3S2/c18-14-15-8-13(11-4-2-1-3-5-11)17(14)7-6-12-9-19-10-16-12/h1-5,8-10H,6-7H2,(H,15,18)
InChIKeyVBMIPPYBRJWLNS-UHFFFAOYSA-N
XLogP3.91
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione
CID 64863188
3-(4-phenyl-2-sulfanylidene-1H-imidazol-3-yl)propanamide
CID 43553869
4-phenyl-3-(3-propoxypropyl)-1H-imidazole-2-thione
CID 82943569
7-fluoro-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 63823899
3-(4-methylsulfanylbutyl)-4-phenyl-1H-imidazole-2-thione
CID 113488112
4-[2-(1,3-thiazol-4-yl)ethyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 55260466
3-[(6-methyl-2-pyridinyl)methyl]-4-phenyl-1H-imidazole-2-thione
CID 62309107
3-cyclopropyl-4-[2-(1,3-thiazol-4-yl)ethyl]-1H-1,2,4-triazole-5-thione
CID 63830099
2-sulfanylidene-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-thieno[3,2-d]pyrimidin-4-one
CID 63825689
4-phenyl-3-(thiolan-2-ylmethyl)-1H-imidazole-2-thione
CID 80586288
3-[(3-bromophenyl)methyl]-4-phenyl-1H-imidazole-2-thione
CID 63550445
2-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-one
CID 25144901

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione?
The IUPAC name of 4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione (CID 55259317) is 4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione.
What is the SMILES notation for 4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione?
The canonical SMILES for 4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione is S=c1[nH]cc(-c2ccccc2)n1CCc1cscn1.
What is the InChIKey of 4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione?
The InChIKey is VBMIPPYBRJWLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c18-14-15-8-13(11-4-2-1-3-5-11)17(14)7-6-12-9-19-10-16-12/h1-5,8-10H,6-7H2,(H,15,18).
What are the key properties of 4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione?
4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione has a molecular weight of 287.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-imidazole-2-thione is sourced from PubChem (CID 55259317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).