2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine

C16H15N3S — CID 57103358

IUPAC2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine
SMILESNC(N)=NCc1ccc(-c2cccc3ccccc23)s1
InChIInChI=1S/C16H15N3S/c17-16(18)19-10-12-8-9-15(20-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-9H,10H2,(H4,17,18,19)
InChIKeyUSULHZAOZMHPTB-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.34
Rot. Bonds3

About 2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine

2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine (PubChem CID 57103358) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine
PubChem CID57103358
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine
SMILESNC(N)=NCc1ccc(-c2cccc3ccccc23)s1
InChIInChI=1S/C16H15N3S/c17-16(18)19-10-12-8-9-15(20-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-9H,10H2,(H4,17,18,19)
InChIKeyUSULHZAOZMHPTB-UHFFFAOYSA-N
XLogP3.34
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(5-naphthalen-1-ylthiophen-2-yl)methanamine
CID 43154300
2-naphthalen-1-yl-5-[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 14929397
2-(anthracen-9-ylmethyl)guanidine;hydrochloride
CID 24749470
2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene
CID 175286693
2-(3-methylphenyl)-5-naphthalen-1-ylthiophene
CID 59500404
5-naphthalen-1-yl-1,3-thiazol-2-amine
CID 17015170
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
2-(2-naphthalen-1-ylpropyl)guanidine
CID 5000934

Frequently Asked Questions

What is the IUPAC name of 2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine?
The IUPAC name of 2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine (CID 57103358) is 2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine.
What is the SMILES notation for 2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine?
The canonical SMILES for 2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine is NC(N)=NCc1ccc(-c2cccc3ccccc23)s1.
What is the InChIKey of 2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine?
The InChIKey is USULHZAOZMHPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c17-16(18)19-10-12-8-9-15(20-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-9H,10H2,(H4,17,18,19).
What are the key properties of 2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine?
2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine has a molecular weight of 281.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-naphthalen-1-ylthiophen-2-yl)methyl]guanidine is sourced from PubChem (CID 57103358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).