5-(methylaminomethyl)thiophene-2-carboximidamide

C7H11N3S — CID 59098892

IUPAC5-(methylaminomethyl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(CNC)s1
InChIInChI=1S/C7H11N3S/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3,10H,4H2,1H3,(H3,8,9)
InChIKeyIPJPKKDGSWPRQJ-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.75
Rot. Bonds3

About 5-(methylaminomethyl)thiophene-2-carboximidamide

5-(methylaminomethyl)thiophene-2-carboximidamide (PubChem CID 59098892) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-(methylaminomethyl)thiophene-2-carboximidamide.

Molecular Properties

Compound Name5-(methylaminomethyl)thiophene-2-carboximidamide
PubChem CID59098892
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-(methylaminomethyl)thiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(CNC)s1
InChIInChI=1S/C7H11N3S/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3,10H,4H2,1H3,(H3,8,9)
InChIKeyIPJPKKDGSWPRQJ-UHFFFAOYSA-N
XLogP0.75
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.75
H-Bond Donors ≤ 53
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-ethanimidoylthiophen-2-yl)-N-methylmethanamine
CID 138527231
2-(5-carbamimidoylthiophen-2-yl)acetic acid
CID 21441146
(5-carbamimidoylthiophen-2-yl)methanesulfinate
CID 174434712
2-(5-carbamimidoylthiophen-2-yl)acetyl chloride;hydrochloride
CID 88817367
5-methylthiophene-2-carboximidamide;hydrochloride
CID 52988386
5-fluorothiophene-2-carboximidamide
CID 55285122
5-bromothiophene-2-carboximidamide;hydrochloride
CID 44607693
5-[5-[5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]furan-2-yl]thiophene-2-carboximidamide
CID 156529024
6-(methylaminomethyl)pyridine-3-carboximidamide
CID 145206932
methyl N-[2-benzyl-1-[[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxoethyl]amino]-4-methylsulfonyl-1-oxobutan-2-yl]carbamate
CID 21019801
4-bromo-5-methyl-1-benzothiophene-2-carboximidamide;dodecahydrate;hydrochloride
CID 19007357
5-nitrothiophene-2-carboximidamide;hydrochloride
CID 156732802

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)thiophene-2-carboximidamide?
The IUPAC name of 5-(methylaminomethyl)thiophene-2-carboximidamide (CID 59098892) is 5-(methylaminomethyl)thiophene-2-carboximidamide.
What is the SMILES notation for 5-(methylaminomethyl)thiophene-2-carboximidamide?
The canonical SMILES for 5-(methylaminomethyl)thiophene-2-carboximidamide is [H]/N=C(\N)c1ccc(CNC)s1.
What is the InChIKey of 5-(methylaminomethyl)thiophene-2-carboximidamide?
The InChIKey is IPJPKKDGSWPRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3,10H,4H2,1H3,(H3,8,9).
What are the key properties of 5-(methylaminomethyl)thiophene-2-carboximidamide?
5-(methylaminomethyl)thiophene-2-carboximidamide has a molecular weight of 169.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)thiophene-2-carboximidamide is sourced from PubChem (CID 59098892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).