4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide

C12H11ClN2OS — CID 113277412

IUPAC4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCc1ccsc1
InChIInChI=1S/C12H11ClN2OS/c13-9-1-2-10(12(14)15)11(5-9)16-6-8-3-4-17-7-8/h1-5,7H,6H2,(H3,14,15)
InChIKeyVCDNKVRKMPITHU-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.26
Rot. Bonds4

About 4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide

4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide (PubChem CID 113277412) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide
PubChem CID113277412
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCc1ccsc1
InChIInChI=1S/C12H11ClN2OS/c13-9-1-2-10(12(14)15)11(5-9)16-6-8-3-4-17-7-8/h1-5,7H,6H2,(H3,14,15)
InChIKeyVCDNKVRKMPITHU-UHFFFAOYSA-N
XLogP3.26
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
CID 114323549
4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323553
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175
2-(1,3-benzodioxol-5-ylmethoxy)-4-chlorobenzenecarboximidamide
CID 63094208
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 63093707
4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide
CID 114323640
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
4-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 63093018
4-chloro-2-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326458

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide (CID 113277412) is 4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OCc1ccsc1.
What is the InChIKey of 4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is VCDNKVRKMPITHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c13-9-1-2-10(12(14)15)11(5-9)16-6-8-3-4-17-7-8/h1-5,7H,6H2,(H3,14,15).
What are the key properties of 4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide?
4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 266.75 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 113277412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).