2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine

C18H26N4S — CID 111804732

IUPAC2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine
SMILESCC(C)(C)c1csc(CC/N=C(\N)NCCc2ccccc2)n1
InChIInChI=1S/C18H26N4S/c1-18(2,3)15-13-23-16(22-15)10-12-21-17(19)20-11-9-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H3,19,20,21)
InChIKeyDWOVGNNWBBJHKQ-UHFFFAOYSA-N
MW330.50 g/mol
LogP3.13
Rot. Bonds6

About 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine

2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine (PubChem CID 111804732) has the molecular formula C18H26N4S and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine
PubChem CID111804732
Molecular FormulaC18H26N4S
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine
SMILESCC(C)(C)c1csc(CC/N=C(\N)NCCc2ccccc2)n1
InChIInChI=1S/C18H26N4S/c1-18(2,3)15-13-23-16(22-15)10-12-21-17(19)20-11-9-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H3,19,20,21)
InChIKeyDWOVGNNWBBJHKQ-UHFFFAOYSA-N
XLogP3.13
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.13
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'}

Analyze 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111804650
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111834894
1,2-bis(2-phenylethyl)guanidine
CID 111022877
2-propyl-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111820928
2-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine
CID 111822089
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111835986
1-phenyl-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111478539
2-hexyl-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111820944
2-(3-methylbutyl)-1-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111820895
2-methyl-1-(2-phenylethyl)-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111616614
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
2-(2-tert-butylsulfinylethyl)-1-(2-phenylethyl)guanidine;hydroiodide
CID 111811525

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine?
The IUPAC name of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine (CID 111804732) is 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine?
The canonical SMILES for 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine is CC(C)(C)c1csc(CC/N=C(\N)NCCc2ccccc2)n1.
What is the InChIKey of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine?
The InChIKey is DWOVGNNWBBJHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4S/c1-18(2,3)15-13-23-16(22-15)10-12-21-17(19)20-11-9-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H3,19,20,21).
What are the key properties of 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine?
2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine has a molecular weight of 330.50 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(2-phenylethyl)guanidine is sourced from PubChem (CID 111804732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).