N-amino-N',4-dimethylthiophene-3-carboximidamide

C7H11N3S — CID 79807732

IUPACN-amino-N',4-dimethylthiophene-3-carboximidamide
SMILESC/N=C(\NN)c1cscc1C
InChIInChI=1S/C7H11N3S/c1-5-3-11-4-6(5)7(9-2)10-8/h3-4H,8H2,1-2H3,(H,9,10)
InChIKeySNNMSXZPLJEIQJ-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.90
Rot. Bonds1

About N-amino-N',4-dimethylthiophene-3-carboximidamide

N-amino-N',4-dimethylthiophene-3-carboximidamide (PubChem CID 79807732) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is N-amino-N',4-dimethylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N',4-dimethylthiophene-3-carboximidamide
PubChem CID79807732
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC NameN-amino-N',4-dimethylthiophene-3-carboximidamide
SMILESC/N=C(\NN)c1cscc1C
InChIInChI=1S/C7H11N3S/c1-5-3-11-4-6(5)7(9-2)10-8/h3-4H,8H2,1-2H3,(H,9,10)
InChIKeySNNMSXZPLJEIQJ-UHFFFAOYSA-N
XLogP0.90
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-methylthiophene-3-carboximidamide
CID 63182038
2,3-Dimethyl-5-thiophen-3-yl-1,3-dihydro-1,2,4-triazole
CID 134314490
Thieno[3,2-f]-1,4-thiazepin-5(2H)-one, 3,4-dihydro-, hydrazone
CID 10726677
N-amino-N'-propan-2-ylthiophene-3-carboximidamide
CID 61360680
N-amino-N'-methylthiophene-3-carboximidamide
CID 61361049
N-amino-N'-propylthiophene-3-carboximidamide
CID 61361690
N-amino-N'-tert-butylthiophene-3-carboximidamide
CID 61362326
N-amino-N'-ethylthiophene-3-carboximidamide
CID 61362681
N-amino-N'-cyclopropylthiophene-3-carboximidamide
CID 61362897
N-amino-5-iodo-N'-methylthiophene-3-carboximidamide
CID 79684165
N-amino-N'-ethyl-5-iodothiophene-3-carboximidamide
CID 79684166
N-amino-5-iodo-N'-propylthiophene-3-carboximidamide
CID 79684245

Frequently Asked Questions

What is the IUPAC name of N-amino-N',4-dimethylthiophene-3-carboximidamide?
The IUPAC name of N-amino-N',4-dimethylthiophene-3-carboximidamide (CID 79807732) is N-amino-N',4-dimethylthiophene-3-carboximidamide.
What is the SMILES notation for N-amino-N',4-dimethylthiophene-3-carboximidamide?
The canonical SMILES for N-amino-N',4-dimethylthiophene-3-carboximidamide is C/N=C(\NN)c1cscc1C.
What is the InChIKey of N-amino-N',4-dimethylthiophene-3-carboximidamide?
The InChIKey is SNNMSXZPLJEIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-5-3-11-4-6(5)7(9-2)10-8/h3-4H,8H2,1-2H3,(H,9,10).
What are the key properties of N-amino-N',4-dimethylthiophene-3-carboximidamide?
N-amino-N',4-dimethylthiophene-3-carboximidamide has a molecular weight of 169.25 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N',4-dimethylthiophene-3-carboximidamide is sourced from PubChem (CID 79807732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).