N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

C15H19BrN2S — CID 61331430

IUPACN-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C(C)C)cs1)c1ccccc1Br
InChIInChI=1S/C15H19BrN2S/c1-4-17-14(11-7-5-6-8-12(11)16)15-18-13(9-19-15)10(2)3/h5-10,14,17H,4H2,1-3H3
InChIKeySDQLWDJPDDVLBM-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.73
Rot. Bonds5

About N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 61331430) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID61331430
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC NameN-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C(C)C)cs1)c1ccccc1Br
InChIInChI=1S/C15H19BrN2S/c1-4-17-14(11-7-5-6-8-12(11)16)15-18-13(9-19-15)10(2)3/h5-10,14,17H,4H2,1-3H3
InChIKeySDQLWDJPDDVLBM-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331610
N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115990377
N-ethyl-2-phenyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61331441
N-[(3-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115380873
N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62543454
N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480410
N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66118401
N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 61332142
N-[(2-bromophenyl)-(4-bromophenyl)methyl]ethanamine
CID 43488711
N-[(2-bromophenyl)-(4-tert-butylphenyl)methyl]ethanamine
CID 43491265
1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544083
N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 55108354

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (CID 61331430) is N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nc(C(C)C)cs1)c1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is SDQLWDJPDDVLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-4-17-14(11-7-5-6-8-12(11)16)15-18-13(9-19-15)10(2)3/h5-10,14,17H,4H2,1-3H3.
What are the key properties of N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 339.30 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61331430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).