4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide

C14H15ClN2OS — CID 65472321

IUPAC4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)c(OCc2ccc(Cl)s2)c(C)c1
InChIInChI=1S/C14H15ClN2OS/c1-8-5-10(14(16)17)6-9(2)13(8)18-7-11-3-4-12(15)19-11/h3-6H,7H2,1-2H3,(H3,16,17)
InChIKeyYKPRHPMJFXVBIW-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.88
Rot. Bonds4

About 4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide

4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide (PubChem CID 65472321) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide
PubChem CID65472321
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)c(OCc2ccc(Cl)s2)c(C)c1
InChIInChI=1S/C14H15ClN2OS/c1-8-5-10(14(16)17)6-9(2)13(8)18-7-11-3-4-12(15)19-11/h3-6H,7H2,1-2H3,(H3,16,17)
InChIKeyYKPRHPMJFXVBIW-UHFFFAOYSA-N
XLogP3.88
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.88
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'}

Analyze 4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide 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-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933274
4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 114346108
4-[(4-iodophenyl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65476998
N-[[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
CID 63500605
[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine
CID 112619743
3,5-dimethyl-4-[(1-methyltriazol-4-yl)methoxy]benzenecarboximidamide
CID 107043385
3-[(2,4,6-trimethylphenoxy)methyl]benzenecarboximidamide
CID 61218400
3,5-dimethyl-4-(2-methylsulfonylethoxy)benzenecarboximidamide
CID 65471366
4-[(4-chlorophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483678
3-[(5-ethylthiophen-2-yl)methoxy]-5-methoxybenzenecarboximidamide
CID 103567773
3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
CID 65471181
3-[(5-chlorothiophen-2-yl)methoxy]-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567558

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide (CID 65472321) is 4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)c(OCc2ccc(Cl)s2)c(C)c1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide?
The InChIKey is YKPRHPMJFXVBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-8-5-10(14(16)17)6-9(2)13(8)18-7-11-3-4-12(15)19-11/h3-6H,7H2,1-2H3,(H3,16,17).
What are the key properties of 4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide?
4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide has a molecular weight of 294.81 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 65472321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).