6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole

C13H11ClN2S2 — CID 4052061

IUPAC6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(CSCc2cn3ccsc3n2)cc1
InChIInChI=1S/C13H11ClN2S2/c14-11-3-1-10(2-4-11)8-17-9-12-7-16-5-6-18-13(16)15-12/h1-7H,8-9H2
InChIKeyHVNCOZFBCLURJN-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.48
Rot. Bonds4

About 6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole

6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 4052061) has the molecular formula C13H11ClN2S2 and a molecular weight of 294.83 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID4052061
Molecular FormulaC13H11ClN2S2
Molecular Weight294.83 g/mol
Exact Mass294.01
IUPAC Name6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(CSCc2cn3ccsc3n2)cc1
InChIInChI=1S/C13H11ClN2S2/c14-11-3-1-10(2-4-11)8-17-9-12-7-16-5-6-18-13(16)15-12/h1-7H,8-9H2
InChIKeyHVNCOZFBCLURJN-UHFFFAOYSA-N
XLogP4.48
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 4052061) is 6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole is Clc1ccc(CSCc2cn3ccsc3n2)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is HVNCOZFBCLURJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S2/c14-11-3-1-10(2-4-11)8-17-9-12-7-16-5-6-18-13(16)15-12/h1-7H,8-9H2.
What are the key properties of 6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 294.83 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylsulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 4052061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).