2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole

C8H7NS3 — CID 130628845

IUPAC2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole
SMILESc1csc(CSc2nccs2)c1
InChIInChI=1S/C8H7NS3/c1-2-7(10-4-1)6-12-8-9-3-5-11-8/h1-5H,6H2
InChIKeyJGNOFXDGBXTOCO-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.50
Rot. Bonds3

About 2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole

2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole (PubChem CID 130628845) has the molecular formula C8H7NS3 and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole
PubChem CID130628845
Molecular FormulaC8H7NS3
Molecular Weight213.35 g/mol
Exact Mass212.97
IUPAC Name2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole
SMILESc1csc(CSc2nccs2)c1
InChIInChI=1S/C8H7NS3/c1-2-7(10-4-1)6-12-8-9-3-5-11-8/h1-5H,6H2
InChIKeyJGNOFXDGBXTOCO-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 4962191
2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole
CID 97016350
[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 61220084
2-(methylsulfanylmethyl)thiophene
CID 12872111
2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine
CID 13317022
N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 29276059
1-ethyl-3-[3-(1,3-thiazol-2-ylsulfanyl)propyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111829721
2-(3-thiophen-2-ylpropyl)-1,3-thiazole
CID 141496467
N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 62468212
3-(1,3-thiazol-2-ylsulfanylmethyl)benzonitrile
CID 60552938
N-ethyl-5-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774235
5-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)-1,3-thiazole
CID 130670824

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole?
The IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole (CID 130628845) is 2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole?
The canonical SMILES for 2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole is c1csc(CSc2nccs2)c1.
What is the InChIKey of 2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole?
The InChIKey is JGNOFXDGBXTOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS3/c1-2-7(10-4-1)6-12-8-9-3-5-11-8/h1-5H,6H2.
What are the key properties of 2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole?
2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole has a molecular weight of 213.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 130628845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).