(3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide

C13H13BrN3S2+ — CID 126957052

IUPAC(3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide
SMILESBr.NNc1scc(-c2cccs2)[n+]1-c1ccccc1
InChIInChI=1S/C13H11N3S2.BrH/c14-15-13-16(10-5-2-1-3-6-10)11(9-18-13)12-7-4-8-17-12;/h1-9H,14H2;1H/p+1
InChIKeyYBBPXZQSRCPGNT-UHFFFAOYSA-O
MW355.31 g/mol
LogP3.62
Rot. Bonds3

About (3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide

(3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide (PubChem CID 126957052) has the molecular formula C13H13BrN3S2+ and a molecular weight of 355.31 g/mol. Its IUPAC name is (3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide.

Molecular Properties

Compound Name(3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide
PubChem CID126957052
Molecular FormulaC13H13BrN3S2+
Molecular Weight355.31 g/mol
Exact Mass353.97
IUPAC Name(3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide
SMILESBr.NNc1scc(-c2cccs2)[n+]1-c1ccccc1
InChIInChI=1S/C13H11N3S2.BrH/c14-15-13-16(10-5-2-1-3-6-10)11(9-18-13)12-7-4-8-17-12;/h1-9H,14H2;1H/p+1
InChIKeyYBBPXZQSRCPGNT-UHFFFAOYSA-O
XLogP3.62
TPSA41.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide?
The IUPAC name of (3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide (CID 126957052) is (3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide.
What is the SMILES notation for (3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide?
The canonical SMILES for (3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide is Br.NNc1scc(-c2cccs2)[n+]1-c1ccccc1.
What is the InChIKey of (3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide?
The InChIKey is YBBPXZQSRCPGNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H11N3S2.BrH/c14-15-13-16(10-5-2-1-3-6-10)11(9-18-13)12-7-4-8-17-12;/h1-9H,14H2;1H/p+1.
What are the key properties of (3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide?
(3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide has a molecular weight of 355.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-4-thiophen-2-yl-1,3-thiazol-3-ium-2-yl)hydrazine;hydrobromide is sourced from PubChem (CID 126957052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).