1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine

C9H15N3S — CID 130892518

IUPAC1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine
SMILESCc1cscc1N/C(N)=N/C(C)C
InChIInChI=1S/C9H15N3S/c1-6(2)11-9(10)12-8-5-13-4-7(8)3/h4-6H,1-3H3,(H3,10,11,12)
InChIKeyFXJKCVNXKYEFOQ-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.19
Rot. Bonds2

About 1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine

1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine (PubChem CID 130892518) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine
PubChem CID130892518
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine
SMILESCc1cscc1N/C(N)=N/C(C)C
InChIInChI=1S/C9H15N3S/c1-6(2)11-9(10)12-8-5-13-4-7(8)3/h4-6H,1-3H3,(H3,10,11,12)
InChIKeyFXJKCVNXKYEFOQ-UHFFFAOYSA-N
XLogP2.19
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.19
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'}

Analyze 1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine 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

(4-methylthiophen-3-yl)thiourea
CID 130773944
N'-(4-methylthiophen-3-yl)oxamide
CID 131086394
1-(2-methyl-3-pyridinyl)-2-propan-2-ylguanidine
CID 79043510
2-bromo-N-(4-methylthiophen-3-yl)propanamide
CID 131183167
1-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylguanidine
CID 66476623
2-propan-2-yl-1-(2,3,4-trifluorophenyl)guanidine
CID 62379789
1-(2,5-dibromophenyl)-2-propan-2-ylguanidine
CID 62381120
1-methyl-3-(4-methylthiophen-3-yl)urea
CID 131044055
ethane;(4-methylthiophen-3-yl)hydrazine
CID 143422051
(4-methylthiophen-3-yl)hydrazine;hydrochloride
CID 55281111
4-methyl-N-(3-methylbutan-2-yl)thiophen-3-amine
CID 115921898
ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide
CID 143490448

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine?
The IUPAC name of 1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine (CID 130892518) is 1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine is Cc1cscc1N/C(N)=N/C(C)C.
What is the InChIKey of 1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine?
The InChIKey is FXJKCVNXKYEFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6(2)11-9(10)12-8-5-13-4-7(8)3/h4-6H,1-3H3,(H3,10,11,12).
What are the key properties of 1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine?
1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine has a molecular weight of 197.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-3-yl)-2-propan-2-ylguanidine is sourced from PubChem (CID 130892518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).