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

C22H24N4S — CID 111855612

IUPAC2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
SMILESC/N=C(\NCc1csc(-c2ccccc2)n1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C22H24N4S/c1-23-21(25-16-22(12-13-22)18-10-6-3-7-11-18)24-14-19-15-27-20(26-19)17-8-4-2-5-9-17/h2-11,15H,12-14,16H2,1H3,(H2,23,24,25)
InChIKeyXPBQOQOBCNQEDL-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.21
Rot. Bonds6

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

2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine (PubChem CID 111855612) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
PubChem CID111855612
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
SMILESC/N=C(\NCc1csc(-c2ccccc2)n1)NCC1(c2ccccc2)CC1
InChIInChI=1S/C22H24N4S/c1-23-21(25-16-22(12-13-22)18-10-6-3-7-11-18)24-14-19-15-27-20(26-19)17-8-4-2-5-9-17/h2-11,15H,12-14,16H2,1H3,(H2,23,24,25)
InChIKeyXPBQOQOBCNQEDL-UHFFFAOYSA-N
XLogP4.21
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.21
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-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970928
2-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111856690
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111182045
2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111258338
2-methyl-1-(2-methylsulfanylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111346102
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111552054
2-methyl-1-(2-phenylpropyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111343386
2-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473604
1-ethyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111855693
2-methyl-1-(4-methylpentyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111942818
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopentyl)methyl]guanidine
CID 109406634
1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 110967064

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine (CID 111855612) is 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine is C/N=C(\NCc1csc(-c2ccccc2)n1)NCC1(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine?
The InChIKey is XPBQOQOBCNQEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4S/c1-23-21(25-16-22(12-13-22)18-10-6-3-7-11-18)24-14-19-15-27-20(26-19)17-8-4-2-5-9-17/h2-11,15H,12-14,16H2,1H3,(H2,23,24,25).
What are the key properties of 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine?
2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine has a molecular weight of 376.53 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine is sourced from PubChem (CID 111855612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).