2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine

C8H13N3OS — CID 106015829

IUPAC2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine
SMILESCCc1ccc(C/N=C(\N)NO)s1
InChIInChI=1S/C8H13N3OS/c1-2-6-3-4-7(13-6)5-10-8(9)11-12/h3-4,12H,2,5H2,1H3,(H3,9,10,11)
InChIKeyBRAPHOLMKNCHSW-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.10
Rot. Bonds3

About 2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine

2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine (PubChem CID 106015829) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine
PubChem CID106015829
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine
SMILESCCc1ccc(C/N=C(\N)NO)s1
InChIInChI=1S/C8H13N3OS/c1-2-6-3-4-7(13-6)5-10-8(9)11-12/h3-4,12H,2,5H2,1H3,(H3,9,10,11)
InChIKeyBRAPHOLMKNCHSW-UHFFFAOYSA-N
XLogP1.10
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110925540
1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111065001
2,5-diethylthiophene
CID 521294
1-amino-2-[(5-ethylthiophen-2-yl)methyl]-3-(2-methylpropyl)guanidine
CID 106013210
1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine
CID 130736483
N-[(5-ethylthiophen-2-yl)methyl]hydroxylamine
CID 82686078
2-[(5-bromothiophen-2-yl)methyl]-1-butylguanidine;hydroiodide
CID 111066948
2-[(5-bromothiophen-2-yl)methyl]-1-tert-butylguanidine;hydroiodide
CID 110912219
2-[(5-bromothiophen-2-yl)methyl]-1-(3-ethylphenyl)guanidine
CID 111066974
1-ethyl-2-[(5-ethylthiophen-2-yl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126408
1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine
CID 104874351
N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111065039

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine (CID 106015829) is 2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine is CCc1ccc(C/N=C(\N)NO)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine?
The InChIKey is BRAPHOLMKNCHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-6-3-4-7(13-6)5-10-8(9)11-12/h3-4,12H,2,5H2,1H3,(H3,9,10,11).
What are the key properties of 2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine?
2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine has a molecular weight of 199.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine is sourced from PubChem (CID 106015829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).