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

C13H16N4S — CID 103635624

IUPAC2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine
SMILESCc1nc(CC/N=C(\N)Nc2ccccc2)cs1
InChIInChI=1S/C13H16N4S/c1-10-16-12(9-18-10)7-8-15-13(14)17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H3,14,15,17)
InChIKeyWAYBFOYOUSGSGB-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.42
Rot. Bonds4

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

2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine (PubChem CID 103635624) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine
PubChem CID103635624
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine
SMILESCc1nc(CC/N=C(\N)Nc2ccccc2)cs1
InChIInChI=1S/C13H16N4S/c1-10-16-12(9-18-10)7-8-15-13(14)17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H3,14,15,17)
InChIKeyWAYBFOYOUSGSGB-UHFFFAOYSA-N
XLogP2.42
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 ≤ 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

1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111041271
2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-1-phenylguanidine
CID 110924670
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111041325
1-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
2-[2-(1-methylpyrazol-3-yl)ethyl]-1-phenylguanidine
CID 113435090
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylguanidine
CID 103643251
1-phenyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111478539
1-phenyl-2-(2-thiophen-3-ylethyl)guanidine
CID 55063925
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide
CID 106043202
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110927510
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide
CID 106043191
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111041298

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine (CID 103635624) is 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine is Cc1nc(CC/N=C(\N)Nc2ccccc2)cs1.
What is the InChIKey of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine?
The InChIKey is WAYBFOYOUSGSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-10-16-12(9-18-10)7-8-15-13(14)17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H3,14,15,17).
What are the key properties of 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine?
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine has a molecular weight of 260.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine is sourced from PubChem (CID 103635624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).