N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide

C15H19N3S — CID 142085142

IUPACN'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide
SMILESCC(N)C(C)c1ccc(/N=C(\N)c2cccs2)cc1
InChIInChI=1S/C15H19N3S/c1-10(11(2)16)12-5-7-13(8-6-12)18-15(17)14-4-3-9-19-14/h3-11H,16H2,1-2H3,(H2,17,18)
InChIKeyPXYLVOHBDOGJPV-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.24
Rot. Bonds4

About N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide

N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide (PubChem CID 142085142) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide
PubChem CID142085142
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide
SMILESCC(N)C(C)c1ccc(/N=C(\N)c2cccs2)cc1
InChIInChI=1S/C15H19N3S/c1-10(11(2)16)12-5-7-13(8-6-12)18-15(17)14-4-3-9-19-14/h3-11H,16H2,1-2H3,(H2,17,18)
InChIKeyPXYLVOHBDOGJPV-UHFFFAOYSA-N
XLogP3.24
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide
CID 70135395
N'-[4-[(4,4,4-trifluorobutan-2-ylamino)methyl]phenyl]thiophene-2-carboximidamide
CID 10193503
N'-(3-propan-2-yl-1H-indol-5-yl)thiophene-2-carboximidamide
CID 89354304
N'-[3-[2-(1-aminoethyl)-1H-imidazol-5-yl]phenyl]thiophene-2-carboximidamide
CID 18443029
N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride
CID 70131323
N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide
CID 22225903
4-[[amino(thiophen-2-yl)methylidene]amino]-N-phenylbenzamide
CID 19353808
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide;hydrochloride
CID 18765715
N'-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-2-yl)ethyl]phenyl]thiophene-2-carboximidamide;(E)-but-2-enedioic acid
CID 70135394
N'-[3-[[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylamino]methyl]phenyl]thiophene-2-carboximidamide
CID 22646267

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide (CID 142085142) is N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide is CC(N)C(C)c1ccc(/N=C(\N)c2cccs2)cc1.
What is the InChIKey of N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide?
The InChIKey is PXYLVOHBDOGJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10(11(2)16)12-5-7-13(8-6-12)18-15(17)14-4-3-9-19-14/h3-11H,16H2,1-2H3,(H2,17,18).
What are the key properties of N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide?
N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide has a molecular weight of 273.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 142085142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).