3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide

C14H16ClN3S — CID 63087220

IUPAC3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC)Cc2cccs2)c(Cl)c1
InChIInChI=1S/C14H16ClN3S/c1-2-18(9-11-4-3-7-19-11)13-6-5-10(14(16)17)8-12(13)15/h3-8H,2,9H2,1H3,(H3,16,17)
InChIKeyALEKTAUVARJISE-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.71
Rot. Bonds5

About 3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide

3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide (PubChem CID 63087220) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is 3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
PubChem CID63087220
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC)Cc2cccs2)c(Cl)c1
InChIInChI=1S/C14H16ClN3S/c1-2-18(9-11-4-3-7-19-11)13-6-5-10(14(16)17)8-12(13)15/h3-8H,2,9H2,1H3,(H3,16,17)
InChIKeyALEKTAUVARJISE-UHFFFAOYSA-N
XLogP3.71
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.71
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

3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 55181040
2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668141
3-fluoro-4-[methyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide
CID 43658312
4-(bromomethyl)-2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081319
2-chloro-4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 81152269
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluorobenzenecarbothioamide
CID 61437463
3-[ethyl(thiophen-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513495
3-[ethyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684545
2-[ethyl(thiophen-2-ylmethyl)amino]-3-methylbenzenecarboximidamide
CID 107110111
4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 55190702
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76904138
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide?
The IUPAC name of 3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide (CID 63087220) is 3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CC)Cc2cccs2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide?
The InChIKey is ALEKTAUVARJISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S/c1-2-18(9-11-4-3-7-19-11)13-6-5-10(14(16)17)8-12(13)15/h3-8H,2,9H2,1H3,(H3,16,17).
What are the key properties of 3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide?
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide has a molecular weight of 293.82 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 63087220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).