5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole

C13H10BrClN2S2 — CID 1394790

IUPAC5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nc(CSc3ccc(Cl)cc3)c(Br)n12
InChIInChI=1S/C13H10BrClN2S2/c1-8-6-19-13-16-11(12(14)17(8)13)7-18-10-4-2-9(15)3-5-10/h2-6H,7H2,1H3
InChIKeyZGFHCBZEJWYMNA-UHFFFAOYSA-N
MW373.73 g/mol
LogP5.41
Rot. Bonds3

About 5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole

5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 1394790) has the molecular formula C13H10BrClN2S2 and a molecular weight of 373.73 g/mol. Its IUPAC name is 5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
PubChem CID1394790
Molecular FormulaC13H10BrClN2S2
Molecular Weight373.73 g/mol
Exact Mass371.92
IUPAC Name5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1csc2nc(CSc3ccc(Cl)cc3)c(Br)n12
InChIInChI=1S/C13H10BrClN2S2/c1-8-6-19-13-16-11(12(14)17(8)13)7-18-10-4-2-9(15)3-5-10/h2-6H,7H2,1H3
InChIKeyZGFHCBZEJWYMNA-UHFFFAOYSA-N
XLogP5.41
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.73
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole (CID 1394790) is 5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole is Cc1csc2nc(CSc3ccc(Cl)cc3)c(Br)n12.
What is the InChIKey of 5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is ZGFHCBZEJWYMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2S2/c1-8-6-19-13-16-11(12(14)17(8)13)7-18-10-4-2-9(15)3-5-10/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 373.73 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(4-chlorophenyl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 1394790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).