N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide

C8H10BrN3S — CID 164662337

IUPACN-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide
SMILESNN/C(=N\C1CC1)c1ccsc1Br
InChIInChI=1S/C8H10BrN3S/c9-7-6(3-4-13-7)8(12-10)11-5-1-2-5/h3-5H,1-2,10H2,(H,11,12)
InChIKeySIACFBXIYSBLGF-UHFFFAOYSA-N
MW260.16 g/mol
LogP1.88
Rot. Bonds2

About N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide

N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide (PubChem CID 164662337) has the molecular formula C8H10BrN3S and a molecular weight of 260.16 g/mol. Its IUPAC name is N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide
PubChem CID164662337
Molecular FormulaC8H10BrN3S
Molecular Weight260.16 g/mol
Exact Mass258.98
IUPAC NameN-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide
SMILESNN/C(=N\C1CC1)c1ccsc1Br
InChIInChI=1S/C8H10BrN3S/c9-7-6(3-4-13-7)8(12-10)11-5-1-2-5/h3-5H,1-2,10H2,(H,11,12)
InChIKeySIACFBXIYSBLGF-UHFFFAOYSA-N
XLogP1.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 51.88
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-2-bromo-N'-ethylthiophene-3-carboximidamide
CID 164662343
N-amino-3-bromo-N'-cyclohexylthiophene-2-carboximidamide
CID 63796658
N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide
CID 79996593
N-amino-2,3-dichloro-N'-cyclopropylbenzenecarboximidamide
CID 61360486
N-amino-4,5-dibromo-N'-cyclopentylthiophene-2-carboximidamide
CID 80538881
N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide
CID 61363305
N-amino-N'-cyclopropyl-5-iodothiophene-3-carboximidamide
CID 79684328
N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide
CID 80745333
N-amino-4,5-dibromo-N'-cycloheptylthiophene-2-carboximidamide
CID 80538901
N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide
CID 81307820
N-amino-N'-cyclopropylthiadiazole-4-carboximidamide
CID 65216082
N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide
CID 61361506

Frequently Asked Questions

What is the IUPAC name of N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide?
The IUPAC name of N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide (CID 164662337) is N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide.
What is the SMILES notation for N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide?
The canonical SMILES for N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide is NN/C(=N\C1CC1)c1ccsc1Br.
What is the InChIKey of N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide?
The InChIKey is SIACFBXIYSBLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3S/c9-7-6(3-4-13-7)8(12-10)11-5-1-2-5/h3-5H,1-2,10H2,(H,11,12).
What are the key properties of N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide?
N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide has a molecular weight of 260.16 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide is sourced from PubChem (CID 164662337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).