5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione

C8H9N3S2 — CID 82881200

IUPAC5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione
SMILESCCc1cc(=S)n(-c2nccs2)[nH]1
InChIInChI=1S/C8H9N3S2/c1-2-6-5-7(12)11(10-6)8-9-3-4-13-8/h3-5,10H,2H2,1H3
InChIKeyOCJFMUQOBZKVRU-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.55
Rot. Bonds2

About 5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione

5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione (PubChem CID 82881200) has the molecular formula C8H9N3S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione.

Molecular Properties

Compound Name5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione
PubChem CID82881200
Molecular FormulaC8H9N3S2
Molecular Weight211.31 g/mol
Exact Mass211.02
IUPAC Name5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione
SMILESCCc1cc(=S)n(-c2nccs2)[nH]1
InChIInChI=1S/C8H9N3S2/c1-2-6-5-7(12)11(10-6)8-9-3-4-13-8/h3-5,10H,2H2,1H3
InChIKeyOCJFMUQOBZKVRU-UHFFFAOYSA-N
XLogP2.55
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.55
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

5-propyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 82879641
5-ethyl-2-(2-fluorophenyl)-1H-pyrazole-3-thione
CID 62409831
5-tert-butyl-2-(1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 82879988
2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 82879507
2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 100758945
2-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-one
CID 82880731
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
ethane;2-ethyl-1,3-thiazole;iodomethane
CID 168945349
2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole
CID 82880303
[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272657
N-ethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78886012
N,N-diethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78881613

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione?
The IUPAC name of 5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione (CID 82881200) is 5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione.
What is the SMILES notation for 5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione?
The canonical SMILES for 5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione is CCc1cc(=S)n(-c2nccs2)[nH]1.
What is the InChIKey of 5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione?
The InChIKey is OCJFMUQOBZKVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-2-6-5-7(12)11(10-6)8-9-3-4-13-8/h3-5,10H,2H2,1H3.
What are the key properties of 5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione?
5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione has a molecular weight of 211.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(1,3-thiazol-2-yl)-1H-pyrazole-3-thione is sourced from PubChem (CID 82881200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).