2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide

C14H18IN3S — CID 110925540

IUPAC2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide
SMILESCCc1ccc(C/N=C(\N)Nc2ccccc2)s1.I
InChIInChI=1S/C14H17N3S.HI/c1-2-12-8-9-13(18-12)10-16-14(15)17-11-6-4-3-5-7-11;/h3-9H,2,10H2,1H3,(H3,15,16,17);1H
InChIKeyJBUSUFQOSQFUIS-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.86
Rot. Bonds4

About 2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide

2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide (PubChem CID 110925540) has the molecular formula C14H18IN3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide
PubChem CID110925540
Molecular FormulaC14H18IN3S
Molecular Weight387.29 g/mol
Exact Mass387.03
IUPAC Name2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide
SMILESCCc1ccc(C/N=C(\N)Nc2ccccc2)s1.I
InChIInChI=1S/C14H17N3S.HI/c1-2-12-8-9-13(18-12)10-16-14(15)17-11-6-4-3-5-7-11;/h3-9H,2,10H2,1H3,(H3,15,16,17);1H
InChIKeyJBUSUFQOSQFUIS-UHFFFAOYSA-N
XLogP3.86
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.86
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chlorothiophen-2-yl)methyl]-1-phenylguanidine
CID 62406052
2-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
CID 103696932
2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine
CID 106015829
2-[(4,5-dimethylthiophen-2-yl)methyl]-1-phenylguanidine
CID 65243538
1-(3-methylphenyl)-2-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111045993
2-benzyl-1-phenylguanidine
CID 12910062
1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111065001
2-[(5-bromothiophen-2-yl)methyl]-1-(3-ethylphenyl)guanidine
CID 111066974
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451
2-[(5-methylthiophen-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111046053
2-[(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1-phenylguanidine
CID 119147362
1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111026477

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide (CID 110925540) is 2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide is CCc1ccc(C/N=C(\N)Nc2ccccc2)s1.I.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is JBUSUFQOSQFUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S.HI/c1-2-12-8-9-13(18-12)10-16-14(15)17-11-6-4-3-5-7-11;/h3-9H,2,10H2,1H3,(H3,15,16,17);1H.
What are the key properties of 2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide?
2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide has a molecular weight of 387.29 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110925540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).