N'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide

C15H17BrFN3S — CID 126757090

IUPACN'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide
SMILESCCN(C)/C(=N\C(C)c1ccc(F)cc1Br)c1nccs1
InChIInChI=1S/C15H17BrFN3S/c1-4-20(3)14(15-18-7-8-21-15)19-10(2)12-6-5-11(17)9-13(12)16/h5-10H,4H2,1-3H3/b19-14-
InChIKeyUVWNIOPWZODISV-RGEXLXHISA-N
MW370.29 g/mol
LogP4.50
Rot. Bonds4

About N'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide

N'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide (PubChem CID 126757090) has the molecular formula C15H17BrFN3S and a molecular weight of 370.29 g/mol. Its IUPAC name is N'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide.

Molecular Properties

Compound NameN'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide
PubChem CID126757090
Molecular FormulaC15H17BrFN3S
Molecular Weight370.29 g/mol
Exact Mass369.03
IUPAC NameN'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide
SMILESCCN(C)/C(=N\C(C)c1ccc(F)cc1Br)c1nccs1
InChIInChI=1S/C15H17BrFN3S/c1-4-20(3)14(15-18-7-8-21-15)19-10(2)12-6-5-11(17)9-13(12)16/h5-10H,4H2,1-3H3/b19-14-
InChIKeyUVWNIOPWZODISV-RGEXLXHISA-N
XLogP4.50
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide?
The IUPAC name of N'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide (CID 126757090) is N'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide.
What is the SMILES notation for N'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide?
The canonical SMILES for N'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide is CCN(C)/C(=N\C(C)c1ccc(F)cc1Br)c1nccs1.
What is the InChIKey of N'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide?
The InChIKey is UVWNIOPWZODISV-RGEXLXHISA-N. The full InChI is InChI=1S/C15H17BrFN3S/c1-4-20(3)14(15-18-7-8-21-15)19-10(2)12-6-5-11(17)9-13(12)16/h5-10H,4H2,1-3H3/b19-14-.
What are the key properties of N'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide?
N'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide has a molecular weight of 370.29 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-bromo-4-fluorophenyl)ethyl]-N-ethyl-N-methyl-1,3-thiazole-2-carboximidamide is sourced from PubChem (CID 126757090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).