2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine

C13H16N4S — CID 111975161

IUPAC2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESC/N=C(\N)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C13H16N4S/c1-15-13(14)16-8-7-11-9-18-12(17-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H3,14,15,16)
InChIKeySHRBWNHZKSSPDP-UHFFFAOYSA-N
MW260.37 g/mol
LogP1.89
Rot. Bonds4

About 2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine

2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine (PubChem CID 111975161) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
PubChem CID111975161
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESC/N=C(\N)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C13H16N4S/c1-15-13(14)16-8-7-11-9-18-12(17-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H3,14,15,16)
InChIKeySHRBWNHZKSSPDP-UHFFFAOYSA-N
XLogP1.89
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 51.89
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

1,2-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975145
1,2-dimethyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111975144
2-hexyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975713
2-(cyclobutylmethyl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111975709
2-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111038291
(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 97030329
1-(3-methylbutyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038251
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111980608
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111213857
4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119266976
2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35344742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine?
The IUPAC name of 2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine (CID 111975161) is 2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine?
The canonical SMILES for 2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine is C/N=C(\N)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine?
The InChIKey is SHRBWNHZKSSPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-15-13(14)16-8-7-11-9-18-12(17-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H3,14,15,16).
What are the key properties of 2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine?
2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine has a molecular weight of 260.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 111975161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).