2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride

C14H13ClN4S — CID 24854754

IUPAC2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C14H12N4S.ClH/c15-13(16)18-14-17-12(8-19-14)11-6-5-9-3-1-2-4-10(9)7-11;/h1-8H,(H4,15,16,17,18);1H
InChIKeyPSTCYSDYKORNOM-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.29
Rot. Bonds2

About 2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride

2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride (PubChem CID 24854754) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is 2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride
PubChem CID24854754
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC Name2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C14H12N4S.ClH/c15-13(16)18-14-17-12(8-19-14)11-6-5-9-3-1-2-4-10(9)7-11;/h1-8H,(H4,15,16,17,18);1H
InChIKeyPSTCYSDYKORNOM-UHFFFAOYSA-N
XLogP3.29
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride?
The IUPAC name of 2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride (CID 24854754) is 2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride.
What is the SMILES notation for 2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride?
The canonical SMILES for 2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride is Cl.NC(N)=Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of 2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride?
The InChIKey is PSTCYSDYKORNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S.ClH/c15-13(16)18-14-17-12(8-19-14)11-6-5-9-3-1-2-4-10(9)7-11;/h1-8H,(H4,15,16,17,18);1H.
What are the key properties of 2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride?
2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride has a molecular weight of 304.81 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-2-yl-1,3-thiazol-2-yl)guanidine;hydrochloride is sourced from PubChem (CID 24854754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).