5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole

C18H13ClN2S2 — CID 1045445

IUPAC5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nc(-c3ccccc3)c(Sc3ccc(Cl)cc3)n12
InChIInChI=1S/C18H13ClN2S2/c1-12-11-22-18-20-16(13-5-3-2-4-6-13)17(21(12)18)23-15-9-7-14(19)8-10-15/h2-11H,1H3
InChIKeyIHHGRRRGSZRIKB-UHFFFAOYSA-N
MW356.90 g/mol
LogP6.18
Rot. Bonds3

About 5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole

5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole (PubChem CID 1045445) has the molecular formula C18H13ClN2S2 and a molecular weight of 356.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
PubChem CID1045445
Molecular FormulaC18H13ClN2S2
Molecular Weight356.90 g/mol
Exact Mass356.02
IUPAC Name5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nc(-c3ccccc3)c(Sc3ccc(Cl)cc3)n12
InChIInChI=1S/C18H13ClN2S2/c1-12-11-22-18-20-16(13-5-3-2-4-6-13)17(21(12)18)23-15-9-7-14(19)8-10-15/h2-11H,1H3
InChIKeyIHHGRRRGSZRIKB-UHFFFAOYSA-N
XLogP6.18
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.90
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole (CID 1045445) is 5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole is Cc1csc2nc(-c3ccccc3)c(Sc3ccc(Cl)cc3)n12.
What is the InChIKey of 5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is IHHGRRRGSZRIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2S2/c1-12-11-22-18-20-16(13-5-3-2-4-6-13)17(21(12)18)23-15-9-7-14(19)8-10-15/h2-11H,1H3.
What are the key properties of 5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole?
5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 356.90 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 1045445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).