N-amino-5-bromo-N'-propylthiophene-2-carboximidamide

C8H12BrN3S — CID 61363242

IUPACN-amino-5-bromo-N'-propylthiophene-2-carboximidamide
SMILESCCC/N=C(\NN)c1ccc(Br)s1
InChIInChI=1S/C8H12BrN3S/c1-2-5-11-8(12-10)6-3-4-7(9)13-6/h3-4H,2,5,10H2,1H3,(H,11,12)
InChIKeyAWMJJFLRORRDMT-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.13
Rot. Bonds3

About N-amino-5-bromo-N'-propylthiophene-2-carboximidamide

N-amino-5-bromo-N'-propylthiophene-2-carboximidamide (PubChem CID 61363242) has the molecular formula C8H12BrN3S and a molecular weight of 262.18 g/mol. Its IUPAC name is N-amino-5-bromo-N'-propylthiophene-2-carboximidamide.

Molecular Properties

Compound NameN-amino-5-bromo-N'-propylthiophene-2-carboximidamide
PubChem CID61363242
Molecular FormulaC8H12BrN3S
Molecular Weight262.18 g/mol
Exact Mass260.99
IUPAC NameN-amino-5-bromo-N'-propylthiophene-2-carboximidamide
SMILESCCC/N=C(\NN)c1ccc(Br)s1
InChIInChI=1S/C8H12BrN3S/c1-2-5-11-8(12-10)6-3-4-7(9)13-6/h3-4H,2,5,10H2,1H3,(H,11,12)
InChIKeyAWMJJFLRORRDMT-UHFFFAOYSA-N
XLogP2.13
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.13
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-amino-4,5-dimethyl-N'-propylthiophene-2-carboximidamide
CID 65237914
N-amino-4-methyl-N'-propylthiophene-2-carboximidamide
CID 130657628
N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide
CID 81307492
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631
1-(5-bromothiophen-2-yl)octan-1-one
CID 63492200
ethyl (2S)-4-(5-bromothiophen-2-yl)-2-methyl-4-oxobutanoate
CID 125473072
N-amino-N'-propyl-4-(trifluoromethoxy)benzenecarboximidamide
CID 116629235
5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
5-bromo-N-methylthiophene-2-carbothioamide
CID 116827670
N'-amino-5-bromothiophene-2-carboximidamide
CID 61351595
diethyl 2-[(5-bromothiophene-2-carbonyl)amino]pentanedioate
CID 75164214
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 104981493

Frequently Asked Questions

What is the IUPAC name of N-amino-5-bromo-N'-propylthiophene-2-carboximidamide?
The IUPAC name of N-amino-5-bromo-N'-propylthiophene-2-carboximidamide (CID 61363242) is N-amino-5-bromo-N'-propylthiophene-2-carboximidamide.
What is the SMILES notation for N-amino-5-bromo-N'-propylthiophene-2-carboximidamide?
The canonical SMILES for N-amino-5-bromo-N'-propylthiophene-2-carboximidamide is CCC/N=C(\NN)c1ccc(Br)s1.
What is the InChIKey of N-amino-5-bromo-N'-propylthiophene-2-carboximidamide?
The InChIKey is AWMJJFLRORRDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3S/c1-2-5-11-8(12-10)6-3-4-7(9)13-6/h3-4H,2,5,10H2,1H3,(H,11,12).
What are the key properties of N-amino-5-bromo-N'-propylthiophene-2-carboximidamide?
N-amino-5-bromo-N'-propylthiophene-2-carboximidamide has a molecular weight of 262.18 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-5-bromo-N'-propylthiophene-2-carboximidamide is sourced from PubChem (CID 61363242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).