2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide

C12H15BrN4S — CID 166216915

IUPAC2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide
SMILESBr.C/N=C(\N)NCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C12H14N4S.BrH/c1-14-12(13)16-8-10-7-15-11(17-10)9-5-3-2-4-6-9;/h2-7H,8H2,1H3,(H3,13,14,16);1H
InChIKeyFOCPJITZFWWOAU-UHFFFAOYSA-N
MW327.25 g/mol
LogP2.42
Rot. Bonds3

About 2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide

2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide (PubChem CID 166216915) has the molecular formula C12H15BrN4S and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide.

Molecular Properties

Compound Name2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide
PubChem CID166216915
Molecular FormulaC12H15BrN4S
Molecular Weight327.25 g/mol
Exact Mass326.02
IUPAC Name2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide
SMILESBr.C/N=C(\N)NCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C12H14N4S.BrH/c1-14-12(13)16-8-10-7-15-11(17-10)9-5-3-2-4-6-9;/h2-7H,8H2,1H3,(H3,13,14,16);1H
InChIKeyFOCPJITZFWWOAU-UHFFFAOYSA-N
XLogP2.42
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 52.42
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

3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 110879669
(2S)-3-methyl-2-[(2-phenyl-1,3-thiazol-5-yl)methylamino]butanoic acid
CID 120510586
5-butyl-2-phenyl-1,3-thiazole
CID 67548106
5,6-dimethyl-4-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 166363647
2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975161
3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 61282920
N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine
CID 119110450
5-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 29089008
(2S,3R)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95281606
1-(3,3-diphenylpropyl)-2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111233819
6-(2-aminoethyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 46993279
(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 95177763

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide?
The IUPAC name of 2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide (CID 166216915) is 2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide.
What is the SMILES notation for 2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide?
The canonical SMILES for 2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide is Br.C/N=C(\N)NCc1cnc(-c2ccccc2)s1.
What is the InChIKey of 2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide?
The InChIKey is FOCPJITZFWWOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S.BrH/c1-14-12(13)16-8-10-7-15-11(17-10)9-5-3-2-4-6-9;/h2-7H,8H2,1H3,(H3,13,14,16);1H.
What are the key properties of 2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide?
2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide has a molecular weight of 327.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-phenyl-1,3-thiazol-5-yl)methyl]guanidine;hydrobromide is sourced from PubChem (CID 166216915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).