2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine

C16H20N4S — CID 119164619

IUPAC2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/Cc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C16H20N4S/c1-2-11-3-7-13(8-4-11)19-16(17)18-9-15-20-14(10-21-15)12-5-6-12/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H3,17,18,19)
InChIKeyXOTMBPFMRINPBH-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.51
Rot. Bonds5

About 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine

2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine (PubChem CID 119164619) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine
PubChem CID119164619
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/Cc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C16H20N4S/c1-2-11-3-7-13(8-4-11)19-16(17)18-9-15-20-14(10-21-15)12-5-6-12/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H3,17,18,19)
InChIKeyXOTMBPFMRINPBH-UHFFFAOYSA-N
XLogP3.51
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.51
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-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 119164616
1-(4-ethylphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine;hydroiodide
CID 111098804
1-(4-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111046163
1-(3,4-dimethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 119117852
2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-1-(3-ethylphenyl)guanidine
CID 122099352
2-[[amino-(4-ethylanilino)methylidene]amino]-N-cyclopropylacetamide
CID 111034665
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111030532
1-(4-ethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine
CID 120603210
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(4-ethylphenyl)guanidine
CID 119117949
2-cyclobutyl-1-(4-ethylphenyl)guanidine
CID 119146745
2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine
CID 111089067
1-(4-ethylphenyl)-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111035326

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine?
The IUPAC name of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine (CID 119164619) is 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine.
What is the SMILES notation for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine?
The canonical SMILES for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine is CCc1ccc(N/C(N)=N/Cc2nc(C3CC3)cs2)cc1.
What is the InChIKey of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine?
The InChIKey is XOTMBPFMRINPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-2-11-3-7-13(8-4-11)19-16(17)18-9-15-20-14(10-21-15)12-5-6-12/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H3,17,18,19).
What are the key properties of 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine?
2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine has a molecular weight of 300.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(4-ethylphenyl)guanidine is sourced from PubChem (CID 119164619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).