N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide

C10H13Br2N3S — CID 80538881

IUPACN-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide
SMILESNN/C(=N\C1CCCC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H13Br2N3S/c11-7-5-8(16-9(7)12)10(15-13)14-6-3-1-2-4-6/h5-6H,1-4,13H2,(H,14,15)
InChIKeyGZGAHGWATKDACN-UHFFFAOYSA-N
MW367.11 g/mol
LogP3.43
Rot. Bonds2

About N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide

N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide (PubChem CID 80538881) has the molecular formula C10H13Br2N3S and a molecular weight of 367.11 g/mol. Its IUPAC name is N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide.

Molecular Properties

Compound NameN-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide
PubChem CID80538881
Molecular FormulaC10H13Br2N3S
Molecular Weight367.11 g/mol
Exact Mass364.92
IUPAC NameN-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide
SMILESNN/C(=N\C1CCCC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H13Br2N3S/c11-7-5-8(16-9(7)12)10(15-13)14-6-3-1-2-4-6/h5-6H,1-4,13H2,(H,14,15)
InChIKeyGZGAHGWATKDACN-UHFFFAOYSA-N
XLogP3.43
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.11
LogP ≤ 53.43
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-dibromo-N'-cycloheptylthiophene-2-carboximidamide
CID 80538901
N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide
CID 79996593
N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide
CID 80745333
N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide
CID 61360915
N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide
CID 61363305
N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide
CID 81307820
N-amino-N'-cycloheptyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide
CID 81260693
N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide
CID 63796658
N-amino-N'-cycloheptylpyridine-4-carboximidamide
CID 61361751
N-amino-N'-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboximidamide
CID 81261860
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide
CID 164662337

Frequently Asked Questions

What is the IUPAC name of N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide?
The IUPAC name of N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide (CID 80538881) is N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide.
What is the SMILES notation for N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide?
The canonical SMILES for N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide is NN/C(=N\C1CCCC1)c1cc(Br)c(Br)s1.
What is the InChIKey of N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide?
The InChIKey is GZGAHGWATKDACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2N3S/c11-7-5-8(16-9(7)12)10(15-13)14-6-3-1-2-4-6/h5-6H,1-4,13H2,(H,14,15).
What are the key properties of N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide?
N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide has a molecular weight of 367.11 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide is sourced from PubChem (CID 80538881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).