2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride

C16H15ClN4S — CID 42945443

IUPAC2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C16H14N4S.ClH/c17-15(18)20-16-19-13(11-7-3-1-4-8-11)14(21-16)12-9-5-2-6-10-12;/h1-10H,(H4,17,18,19,20);1H
InChIKeyHHEDJGQRMXEGCY-UHFFFAOYSA-N
MW330.84 g/mol
LogP3.80
Rot. Bonds3

About 2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride

2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride (PubChem CID 42945443) has the molecular formula C16H15ClN4S and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride
PubChem CID42945443
Molecular FormulaC16H15ClN4S
Molecular Weight330.84 g/mol
Exact Mass330.07
IUPAC Name2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C16H14N4S.ClH/c17-15(18)20-16-19-13(11-7-3-1-4-8-11)14(21-16)12-9-5-2-6-10-12;/h1-10H,(H4,17,18,19,20);1H
InChIKeyHHEDJGQRMXEGCY-UHFFFAOYSA-N
XLogP3.80
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 53.80
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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Related Compounds

2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine
CID 3147443
ethyl 2-(diaminomethylideneamino)-4-phenyl-1,3-thiazole-5-carboxylate;hydrobromide
CID 18322831
2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 54224209
7-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]heptanamide
CID 54374402
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2806452
2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole
CID 4654127
2-methyl-5-(4-methylphenyl)-4-phenyl-1,3-thiazole
CID 139241050
2-[5-(3-aminophenyl)-4-ethyl-1,3-thiazol-2-yl]guanidine
CID 18323093
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
4-(4-methoxyphenyl)-5-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 88568617
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62543017
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide
CID 134095812

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride?
The IUPAC name of 2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride (CID 42945443) is 2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride.
What is the SMILES notation for 2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride?
The canonical SMILES for 2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride is Cl.NC(N)=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride?
The InChIKey is HHEDJGQRMXEGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S.ClH/c17-15(18)20-16-19-13(11-7-3-1-4-8-11)14(21-16)12-9-5-2-6-10-12;/h1-10H,(H4,17,18,19,20);1H.
What are the key properties of 2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride?
2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride has a molecular weight of 330.84 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenyl-1,3-thiazol-2-yl)guanidine;hydrochloride is sourced from PubChem (CID 42945443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).