5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

C14H10BrN5S2 — CID 1394374

IUPAC5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESBrc1c(CSc2nncn2-c2ccccc2)nc2sccn12
InChIInChI=1S/C14H10BrN5S2/c15-12-11(17-13-19(12)6-7-21-13)8-22-14-18-16-9-20(14)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyILAFDSJOJJXAOR-UHFFFAOYSA-N
MW392.31 g/mol
LogP4.03
Rot. Bonds4

About 5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 1394374) has the molecular formula C14H10BrN5S2 and a molecular weight of 392.31 g/mol. Its IUPAC name is 5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID1394374
Molecular FormulaC14H10BrN5S2
Molecular Weight392.31 g/mol
Exact Mass390.96
IUPAC Name5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESBrc1c(CSc2nncn2-c2ccccc2)nc2sccn12
InChIInChI=1S/C14H10BrN5S2/c15-12-11(17-13-19(12)6-7-21-13)8-22-14-18-16-9-20(14)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyILAFDSJOJJXAOR-UHFFFAOYSA-N
XLogP4.03
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.31
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 1394374) is 5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is Brc1c(CSc2nncn2-c2ccccc2)nc2sccn12.
What is the InChIKey of 5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is ILAFDSJOJJXAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5S2/c15-12-11(17-13-19(12)6-7-21-13)8-22-14-18-16-9-20(14)10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 392.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 1394374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).