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

C12H9ClN2S2 — CID 658348

IUPAC6-[(4-chlorophenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(SCc2cn3ccsc3n2)cc1
InChIInChI=1S/C12H9ClN2S2/c13-9-1-3-11(4-2-9)17-8-10-7-15-5-6-16-12(15)14-10/h1-7H,8H2
InChIKeyXGAGHBMKLFTMNK-UHFFFAOYSA-N
MW280.81 g/mol
LogP4.34
Rot. Bonds3

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

6-[(4-chlorophenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 658348) has the molecular formula C12H9ClN2S2 and a molecular weight of 280.81 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(4-chlorophenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID658348
Molecular FormulaC12H9ClN2S2
Molecular Weight280.81 g/mol
Exact Mass279.99
IUPAC Name6-[(4-chlorophenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(SCc2cn3ccsc3n2)cc1
InChIInChI=1S/C12H9ClN2S2/c13-9-1-3-11(4-2-9)17-8-10-7-15-5-6-16-12(15)14-10/h1-7H,8H2
InChIKeyXGAGHBMKLFTMNK-UHFFFAOYSA-N
XLogP4.34
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.81
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(4-chlorophenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 658348) is 6-[(4-chlorophenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(4-chlorophenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(4-chlorophenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is Clc1ccc(SCc2cn3ccsc3n2)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is XGAGHBMKLFTMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2S2/c13-9-1-3-11(4-2-9)17-8-10-7-15-5-6-16-12(15)14-10/h1-7H,8H2.
What are the key properties of 6-[(4-chlorophenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
6-[(4-chlorophenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 280.81 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 658348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).