2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine

C13H15N3OS — CID 111573105

IUPAC2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine
SMILESCOc1ccc(-c2csc(CN=C(N)N)c2)cc1
InChIInChI=1S/C13H15N3OS/c1-17-11-4-2-9(3-5-11)10-6-12(18-8-10)7-16-13(14)15/h2-6,8H,7H2,1H3,(H4,14,15,16)
InChIKeyONMUZSOOBAWJOO-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.20
Rot. Bonds4

About 2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine

2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine (PubChem CID 111573105) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine
PubChem CID111573105
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine
SMILESCOc1ccc(-c2csc(CN=C(N)N)c2)cc1
InChIInChI=1S/C13H15N3OS/c1-17-11-4-2-9(3-5-11)10-6-12(18-8-10)7-16-13(14)15/h2-6,8H,7H2,1H3,(H4,14,15,16)
InChIKeyONMUZSOOBAWJOO-UHFFFAOYSA-N
XLogP2.20
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.20
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-ethyl-2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111966660
1-cyclopropyl-3-ethyl-2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine;hydroiodide
CID 111966690
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine
CID 111979489
3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide
CID 119343360
2-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]guanidine;hydrochloride
CID 19757960
2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide
CID 110884528
3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]butanamide;hydrochloride
CID 119818238
4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 61019202
2-ethynyl-4-(4-methoxyphenyl)thiophene
CID 171393347
(E)-3-[4-(4-methoxyphenyl)thiophen-2-yl]prop-2-enoyl chloride
CID 11161769
2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
CID 155435073
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]urea
CID 111619363

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine?
The IUPAC name of 2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine (CID 111573105) is 2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine is COc1ccc(-c2csc(CN=C(N)N)c2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine?
The InChIKey is ONMUZSOOBAWJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-17-11-4-2-9(3-5-11)10-6-12(18-8-10)7-16-13(14)15/h2-6,8H,7H2,1H3,(H4,14,15,16).
What are the key properties of 2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine?
2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine has a molecular weight of 261.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]guanidine is sourced from PubChem (CID 111573105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).