N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine

C16H20BrFN2S — CID 61336187

IUPACN-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCc1nc(C(NC(C)C)c2ccc(F)c(Br)c2)sc1C
InChIInChI=1S/C16H20BrFN2S/c1-5-14-10(4)21-16(20-14)15(19-9(2)3)11-6-7-13(18)12(17)8-11/h6-9,15,19H,5H2,1-4H3
InChIKeyNEYWLTGZNSAENE-UHFFFAOYSA-N
MW371.32 g/mol
LogP5.00
Rot. Bonds5

About N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine

N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 61336187) has the molecular formula C16H20BrFN2S and a molecular weight of 371.32 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID61336187
Molecular FormulaC16H20BrFN2S
Molecular Weight371.32 g/mol
Exact Mass370.05
IUPAC NameN-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCc1nc(C(NC(C)C)c2ccc(F)c(Br)c2)sc1C
InChIInChI=1S/C16H20BrFN2S/c1-5-14-10(4)21-16(20-14)15(19-9(2)3)11-6-7-13(18)12(17)8-11/h6-9,15,19H,5H2,1-4H3
InChIKeyNEYWLTGZNSAENE-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.32
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine with MolForge

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Related Compounds

N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine
CID 63649782
N-[(2,3-difluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 63668613
N-[(4-bromo-3-methylphenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480408
N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61345618
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(2-methylphenyl)methyl]propan-2-amine
CID 61336192
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 63077170
1-(2,5-difluorophenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61330943
1-(3,5-difluorophenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 106531760
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine
CID 61335017
N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 114859171
N-[(4-chloro-2-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859194
1-(3-chloro-4-methylphenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 106818049

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 61336187) is N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is CCc1nc(C(NC(C)C)c2ccc(F)c(Br)c2)sc1C.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is NEYWLTGZNSAENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2S/c1-5-14-10(4)21-16(20-14)15(19-9(2)3)11-6-7-13(18)12(17)8-11/h6-9,15,19H,5H2,1-4H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 371.32 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 61336187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).