N'-but-2-ynoxythiophene-2-carboximidamide

C9H10N2OS — CID 126809551

IUPACN'-but-2-ynoxythiophene-2-carboximidamide
SMILESCC#CCON=C(N)c1cccs1
InChIInChI=1S/C9H10N2OS/c1-2-3-6-12-11-9(10)8-5-4-7-13-8/h4-5,7H,6H2,1H3,(H2,10,11)
InChIKeyLBVIHYCRQCWKBQ-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.41
Rot. Bonds3

About N'-but-2-ynoxythiophene-2-carboximidamide

N'-but-2-ynoxythiophene-2-carboximidamide (PubChem CID 126809551) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is N'-but-2-ynoxythiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-but-2-ynoxythiophene-2-carboximidamide
PubChem CID126809551
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameN'-but-2-ynoxythiophene-2-carboximidamide
SMILESCC#CCON=C(N)c1cccs1
InChIInChI=1S/C9H10N2OS/c1-2-3-6-12-11-9(10)8-5-4-7-13-8/h4-5,7H,6H2,1H3,(H2,10,11)
InChIKeyLBVIHYCRQCWKBQ-UHFFFAOYSA-N
XLogP1.41
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[[4-(difluoromethoxy)phenyl]methoxy]thiophene-2-carboximidamide
CID 94866333
2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide
CID 51228208
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-chlorophenyl)acetamide
CID 47118154
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-bromophenyl)acetamide
CID 47118141
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-methylbenzoate
CID 19324371
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 1-ethylpyrazole-4-carboxylate
CID 19296308
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide
CID 126805518
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-chlorophenyl)acetamide
CID 103597657
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2-phenoxyphenyl)acetamide
CID 126806587
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(5-chloro-2-methylphenyl)acetamide
CID 126800859
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(3,4-difluorophenyl)acetamide
CID 75621335

Frequently Asked Questions

What is the IUPAC name of N'-but-2-ynoxythiophene-2-carboximidamide?
The IUPAC name of N'-but-2-ynoxythiophene-2-carboximidamide (CID 126809551) is N'-but-2-ynoxythiophene-2-carboximidamide.
What is the SMILES notation for N'-but-2-ynoxythiophene-2-carboximidamide?
The canonical SMILES for N'-but-2-ynoxythiophene-2-carboximidamide is CC#CCON=C(N)c1cccs1.
What is the InChIKey of N'-but-2-ynoxythiophene-2-carboximidamide?
The InChIKey is LBVIHYCRQCWKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-2-3-6-12-11-9(10)8-5-4-7-13-8/h4-5,7H,6H2,1H3,(H2,10,11).
What are the key properties of N'-but-2-ynoxythiophene-2-carboximidamide?
N'-but-2-ynoxythiophene-2-carboximidamide has a molecular weight of 194.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-2-ynoxythiophene-2-carboximidamide is sourced from PubChem (CID 126809551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).