(2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium

C8H9N2S2+ — CID 6932043

IUPAC(2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium
SMILES[NH3+]Cc1csc(-c2cccs2)n1
InChIInChI=1S/C8H8N2S2/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4,9H2/p+1
InChIKeyVZBJIPJKJKKWPH-UHFFFAOYSA-O
MW197.31 g/mol
LogP1.61
Rot. Bonds2

About (2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium

(2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium (PubChem CID 6932043) has the molecular formula C8H9N2S2+ and a molecular weight of 197.31 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium
PubChem CID6932043
Molecular FormulaC8H9N2S2+
Molecular Weight197.31 g/mol
Exact Mass197.02
IUPAC Name(2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium
SMILES[NH3+]Cc1csc(-c2cccs2)n1
InChIInChI=1S/C8H8N2S2/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4,9H2/p+1
InChIKeyVZBJIPJKJKKWPH-UHFFFAOYSA-O
XLogP1.61
TPSA40.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium?
The IUPAC name of (2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium (CID 6932043) is (2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium.
What is the SMILES notation for (2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium?
The canonical SMILES for (2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium is [NH3+]Cc1csc(-c2cccs2)n1.
What is the InChIKey of (2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium?
The InChIKey is VZBJIPJKJKKWPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8N2S2/c9-4-6-5-12-8(10-6)7-2-1-3-11-7/h1-3,5H,4,9H2/p+1.
What are the key properties of (2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium?
(2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium has a molecular weight of 197.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-thiazol-4-yl)methylazanium is sourced from PubChem (CID 6932043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).