2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole

C8H9N3S2 — CID 10512688

IUPAC2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole
SMILESc1csc(SCCc2cnc[nH]2)n1
InChIInChI=1S/C8H9N3S2/c1(7-5-9-6-11-7)3-12-8-10-2-4-13-8/h2,4-6H,1,3H2,(H,9,11)
InChIKeyQBGPYNXSHYPJDN-UHFFFAOYSA-N
MW211.32 g/mol
LogP2.20
Rot. Bonds4

About 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole

2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole (PubChem CID 10512688) has the molecular formula C8H9N3S2 and a molecular weight of 211.32 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole
PubChem CID10512688
Molecular FormulaC8H9N3S2
Molecular Weight211.32 g/mol
Exact Mass211.02
IUPAC Name2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole
SMILESc1csc(SCCc2cnc[nH]2)n1
InChIInChI=1S/C8H9N3S2/c1(7-5-9-6-11-7)3-12-8-10-2-4-13-8/h2,4-6H,1,3H2,(H,9,11)
InChIKeyQBGPYNXSHYPJDN-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole (CID 10512688) is 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole is c1csc(SCCc2cnc[nH]2)n1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole?
The InChIKey is QBGPYNXSHYPJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1(7-5-9-6-11-7)3-12-8-10-2-4-13-8/h2,4-6H,1,3H2,(H,9,11).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole?
2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole has a molecular weight of 211.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1,3-thiazole is sourced from PubChem (CID 10512688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).