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

C13H9BrN6S2 — CID 1414498

IUPAC5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESBrc1c(CSc2nnnn2-c2ccccc2)nc2sccn12
InChIInChI=1S/C13H9BrN6S2/c14-11-10(15-12-19(11)6-7-21-12)8-22-13-16-17-18-20(13)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyGXORXDIDZLWIFL-UHFFFAOYSA-N
MW393.30 g/mol
LogP3.43
Rot. Bonds4

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

5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 1414498) has the molecular formula C13H9BrN6S2 and a molecular weight of 393.30 g/mol. Its IUPAC name is 5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID1414498
Molecular FormulaC13H9BrN6S2
Molecular Weight393.30 g/mol
Exact Mass391.95
IUPAC Name5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESBrc1c(CSc2nnnn2-c2ccccc2)nc2sccn12
InChIInChI=1S/C13H9BrN6S2/c14-11-10(15-12-19(11)6-7-21-12)8-22-13-16-17-18-20(13)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyGXORXDIDZLWIFL-UHFFFAOYSA-N
XLogP3.43
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2415936
3-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 1391204
3-chloro-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 687533
2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 972372
4-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 91144824
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
5-bromo-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 115622292
3-(4-methylphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 1225794
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
3-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenylimidazo[1,2-a]pyridine
CID 4839922
2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole
CID 2345708
3-(2-chlorophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9033418

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 1414498) is 5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is Brc1c(CSc2nnnn2-c2ccccc2)nc2sccn12.
What is the InChIKey of 5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is GXORXDIDZLWIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN6S2/c14-11-10(15-12-19(11)6-7-21-12)8-22-13-16-17-18-20(13)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 393.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 1414498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).