N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide

C10H14N2S — CID 63176240

IUPACN'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide
SMILESCc1ccc(C/N=C(\N)C2CC2)s1
InChIInChI=1S/C10H14N2S/c1-7-2-5-9(13-7)6-12-10(11)8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H2,11,12)
InChIKeyWLPXHPLDYBNZOQ-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.32
Rot. Bonds3

About N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide

N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide (PubChem CID 63176240) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide
PubChem CID63176240
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC NameN'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide
SMILESCc1ccc(C/N=C(\N)C2CC2)s1
InChIInChI=1S/C10H14N2S/c1-7-2-5-9(13-7)6-12-10(11)8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H2,11,12)
InChIKeyWLPXHPLDYBNZOQ-UHFFFAOYSA-N
XLogP2.32
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
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

N'-[(5-methylthiophen-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111046068
N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide
CID 106043235
ethyl 4-[[N'-[(5-methylthiophen-2-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111046035
N'-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboximidamide
CID 63175747
1-(2-cyclopropylethyl)-3-ethyl-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111604695
N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide
CID 114957607
1-(3-ethoxypropyl)-2-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111046016
N'-[(5-methylthiophen-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119118304
N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide
CID 63174432
1-(3-methylphenyl)-2-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111045993
N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide
CID 63178022
1-[3-[[N-ethyl-N'-[(5-methylthiophen-2-yl)methyl]carbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 111898407

Frequently Asked Questions

What is the IUPAC name of N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide (CID 63176240) is N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide is Cc1ccc(C/N=C(\N)C2CC2)s1.
What is the InChIKey of N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide?
The InChIKey is WLPXHPLDYBNZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-7-2-5-9(13-7)6-12-10(11)8-3-4-8/h2,5,8H,3-4,6H2,1H3,(H2,11,12).
What are the key properties of N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide?
N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide has a molecular weight of 194.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide is sourced from PubChem (CID 63176240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).