2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide

C17H14BrN5S2 — CID 6603274

IUPAC2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide
SMILESBr.c1ccc(-c2nc(CSc3nnnn3-c3ccccc3)cs2)cc1
InChIInChI=1S/C17H13N5S2.BrH/c1-3-7-13(8-4-1)16-18-14(11-23-16)12-24-17-19-20-21-22(17)15-9-5-2-6-10-15;/h1-11H,12H2;1H
InChIKeyWUKPWNLYVWWOGT-UHFFFAOYSA-N
MW432.37 g/mol
LogP4.66
Rot. Bonds5

About 2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide

2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide (PubChem CID 6603274) has the molecular formula C17H14BrN5S2 and a molecular weight of 432.37 g/mol. Its IUPAC name is 2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide
PubChem CID6603274
Molecular FormulaC17H14BrN5S2
Molecular Weight432.37 g/mol
Exact Mass430.99
IUPAC Name2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide
SMILESBr.c1ccc(-c2nc(CSc3nnnn3-c3ccccc3)cs2)cc1
InChIInChI=1S/C17H13N5S2.BrH/c1-3-7-13(8-4-1)16-18-14(11-23-16)12-24-17-19-20-21-22(17)15-9-5-2-6-10-15;/h1-11H,12H2;1H
InChIKeyWUKPWNLYVWWOGT-UHFFFAOYSA-N
XLogP4.66
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide?
The IUPAC name of 2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide (CID 6603274) is 2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide.
What is the SMILES notation for 2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide?
The canonical SMILES for 2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide is Br.c1ccc(-c2nc(CSc3nnnn3-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide?
The InChIKey is WUKPWNLYVWWOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S2.BrH/c1-3-7-13(8-4-1)16-18-14(11-23-16)12-24-17-19-20-21-22(17)15-9-5-2-6-10-15;/h1-11H,12H2;1H.
What are the key properties of 2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide?
2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide has a molecular weight of 432.37 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole;hydrobromide is sourced from PubChem (CID 6603274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).