2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide

C8H12ClN3S — CID 61442075

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C8H12ClN3S/c1-12(5-8(10)11)4-6-2-3-7(9)13-6/h2-3H,4-5H2,1H3,(H3,10,11)
InChIKeyACWBGOPWOWKNBB-UHFFFAOYSA-N
MW217.73 g/mol
LogP1.77
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide

2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide (PubChem CID 61442075) has the molecular formula C8H12ClN3S and a molecular weight of 217.73 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide
PubChem CID61442075
Molecular FormulaC8H12ClN3S
Molecular Weight217.73 g/mol
Exact Mass217.04
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C8H12ClN3S/c1-12(5-8(10)11)4-6-2-3-7(9)13-6/h2-3H,4-5H2,1H3,(H3,10,11)
InChIKeyACWBGOPWOWKNBB-UHFFFAOYSA-N
XLogP1.77
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.73
LogP ≤ 51.77
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

1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 62894387
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 62494096
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl] carbamimidothioate
CID 36522118
3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyrazine-2-carboximidamide
CID 55104411
N-(4-aminophenyl)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-methylacetamide
CID 61438374
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-oxobutanenitrile
CID 117038458
2-bromo-4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorobenzenecarboximidamide
CID 107536381
3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridazine-4-carboximidamide
CID 80513541
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide (CID 61442075) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide is [H]/N=C(\N)CN(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide?
The InChIKey is ACWBGOPWOWKNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S/c1-12(5-8(10)11)4-6-2-3-7(9)13-6/h2-3H,4-5H2,1H3,(H3,10,11).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide has a molecular weight of 217.73 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide is sourced from PubChem (CID 61442075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).