2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole

C7H6N2S2 — CID 141103703

IUPAC2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole
SMILESc1c[nH]c(Sc2nccs2)c1
InChIInChI=1S/C7H6N2S2/c1-2-6(8-3-1)11-7-9-4-5-10-7/h1-5,8H
InChIKeyYDKVEYQEQUIENW-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.62
Rot. Bonds2

About 2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole

2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole (PubChem CID 141103703) has the molecular formula C7H6N2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole
PubChem CID141103703
Molecular FormulaC7H6N2S2
Molecular Weight182.27 g/mol
Exact Mass182.00
IUPAC Name2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole
SMILESc1c[nH]c(Sc2nccs2)c1
InChIInChI=1S/C7H6N2S2/c1-2-6(8-3-1)11-7-9-4-5-10-7/h1-5,8H
InChIKeyYDKVEYQEQUIENW-UHFFFAOYSA-N
XLogP2.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Thiocyanato-1H-pyrrole
CID 12674760
2-n-Propylthiopyrrole
CID 10953610
2-Methylthiopyrrole
CID 11007857
1H-Pyrrole, 2-(ethylthio)-
CID 12162221
2-butylsulfanyl-1H-pyrrole
CID 12674761
Pyrrolyl sulfide
CID 13842795
2,2'-Disulfanediyldipyrrole
CID 20587214
1H-pyrrole;thiophene
CID 22609183
1H-Pyrrole, 2-(ethenylthio)-
CID 45092670
Allylthioazole
CID 55287007
2-(Prop-2-yn-1-ylsulfanyl)-1h-pyrrole
CID 55288194
2-methylsulfanyl-(213C)1H-pyrrole
CID 91513656

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole?
The IUPAC name of 2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole (CID 141103703) is 2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole?
The canonical SMILES for 2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole is c1c[nH]c(Sc2nccs2)c1.
What is the InChIKey of 2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole?
The InChIKey is YDKVEYQEQUIENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S2/c1-2-6(8-3-1)11-7-9-4-5-10-7/h1-5,8H.
What are the key properties of 2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole?
2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole has a molecular weight of 182.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-ylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 141103703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).