N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide

C9H12BrN3S — CID 79996593

IUPACN-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide
SMILESCc1cc(/C(=N/C2CC2)NN)sc1Br
InChIInChI=1S/C9H12BrN3S/c1-5-4-7(14-8(5)10)9(13-11)12-6-2-3-6/h4,6H,2-3,11H2,1H3,(H,12,13)
InChIKeySEUAYPORSWBZSB-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.19
Rot. Bonds2

About N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide

N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide (PubChem CID 79996593) has the molecular formula C9H12BrN3S and a molecular weight of 274.19 g/mol. Its IUPAC name is N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide.

Molecular Properties

Compound NameN-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide
PubChem CID79996593
Molecular FormulaC9H12BrN3S
Molecular Weight274.19 g/mol
Exact Mass272.99
IUPAC NameN-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide
SMILESCc1cc(/C(=N/C2CC2)NN)sc1Br
InChIInChI=1S/C9H12BrN3S/c1-5-4-7(14-8(5)10)9(13-11)12-6-2-3-6/h4,6H,2-3,11H2,1H3,(H,12,13)
InChIKeySEUAYPORSWBZSB-UHFFFAOYSA-N
XLogP2.19
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.19
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'-cyclopentylthiophene-2-carboximidamide
CID 80538881
N-amino-4,5-dibromo-N'-cycloheptylthiophene-2-carboximidamide
CID 80538901
N-amino-2-bromo-N'-cyclopropylthiophene-3-carboximidamide
CID 164662337
N-amino-N'-cyclohexylthieno[3,2-b]thiophene-5-carboximidamide
CID 80745333
N-amino-N'-cyclopropyl-3-methoxy-4-methylbenzenecarboximidamide
CID 61361299
N-amino-2-bromo-N'-cyclohexyl-3-methylbenzenecarboximidamide
CID 107983770
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727
N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide
CID 61363305
N-amino-N'-cyclopropyl-4-ethylbenzenecarboximidamide
CID 61361506
[(5-bromo-4-methylthiophene-2-carbonyl)amino]urea
CID 79996515
1-amino-3-(5-bromo-2-methylphenyl)-2-cyclopropylguanidine
CID 116513464
N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide
CID 61360532

Frequently Asked Questions

What is the IUPAC name of N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide?
The IUPAC name of N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide (CID 79996593) is N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide.
What is the SMILES notation for N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide?
The canonical SMILES for N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide is Cc1cc(/C(=N/C2CC2)NN)sc1Br.
What is the InChIKey of N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide?
The InChIKey is SEUAYPORSWBZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3S/c1-5-4-7(14-8(5)10)9(13-11)12-6-2-3-6/h4,6H,2-3,11H2,1H3,(H,12,13).
What are the key properties of N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide?
N-amino-5-bromo-N'-cyclopropyl-4-methylthiophene-2-carboximidamide has a molecular weight of 274.19 g/mol, XLogP of 2.19, 2 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'-cyclopropyl-4-methylthiophene-2-carboximidamide is sourced from PubChem (CID 79996593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).