1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine

C7H11N3OS — CID 130736483

IUPAC1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine
SMILESCc1csc(C/N=C(\N)NO)c1
InChIInChI=1S/C7H11N3OS/c1-5-2-6(12-4-5)3-9-7(8)10-11/h2,4,11H,3H2,1H3,(H3,8,9,10)
InChIKeyCDIYUMXBFMRKTG-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.85
Rot. Bonds2

About 1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine

1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine (PubChem CID 130736483) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine
PubChem CID130736483
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine
SMILESCc1csc(C/N=C(\N)NO)c1
InChIInChI=1S/C7H11N3OS/c1-5-2-6(12-4-5)3-9-7(8)10-11/h2,4,11H,3H2,1H3,(H3,8,9,10)
InChIKeyCDIYUMXBFMRKTG-UHFFFAOYSA-N
XLogP0.85
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.85
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'}

Analyze 1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-bromothiophen-2-yl)methyl]-1-tert-butylguanidine
CID 63362854
1-hydroxy-2-(1,3-thiazol-5-ylmethyl)guanidine
CID 104874351
2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine
CID 106015829
2-[(4-bromothiophen-2-yl)methyl]-1-(3,4-dimethylphenyl)guanidine
CID 111068721
1-hydroxy-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine
CID 62483333
ethane;2-ethyl-4-methylthiophene
CID 144673037
N'-[(4-bromothiophen-2-yl)methyl]benzenecarboximidamide
CID 63362894
(2R)-1-(4-methylthiophen-2-yl)propan-2-amine
CID 18656689
(2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide
CID 131107412
2-[(4-bromophenyl)methyl]-1-hydroxyguanidine
CID 62481269
4-methyl-2-(2,2,2-trifluoroethyl)thiophene
CID 118566601
N'-[(4-bromothiophen-2-yl)methyl]piperidine-1-carboximidamide
CID 111068778

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine?
The IUPAC name of 1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine (CID 130736483) is 1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine?
The canonical SMILES for 1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine is Cc1csc(C/N=C(\N)NO)c1.
What is the InChIKey of 1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine?
The InChIKey is CDIYUMXBFMRKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-5-2-6(12-4-5)3-9-7(8)10-11/h2,4,11H,3H2,1H3,(H3,8,9,10).
What are the key properties of 1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine?
1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine has a molecular weight of 185.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(4-methylthiophen-2-yl)methyl]guanidine is sourced from PubChem (CID 130736483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).