2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine

C15H19BrN2S — CID 79442011

IUPAC2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCCNCC(Cc1csc(C)n1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2S/c1-3-17-9-13(8-15-10-19-11(2)18-15)12-4-6-14(16)7-5-12/h4-7,10,13,17H,3,8-9H2,1-2H3
InChIKeyKLXYYGSJHRRXTB-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.15
Rot. Bonds6

About 2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine

2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine (PubChem CID 79442011) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
PubChem CID79442011
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCCNCC(Cc1csc(C)n1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2S/c1-3-17-9-13(8-15-10-19-11(2)18-15)12-4-6-14(16)7-5-12/h4-7,10,13,17H,3,8-9H2,1-2H3
InChIKeyKLXYYGSJHRRXTB-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 79443123
N-ethyl-2,3-dimethyl-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 81015805
2-(4-chlorophenyl)-N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79433561
2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
CID 79437210
2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79433065
1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997244
4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole
CID 58762168
1-(4-bromo-2-fluorophenyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 114906659
2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110312773
2-(4-bromophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 79438116
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798822
2-(4-bromophenyl)-N-ethylundecan-1-amine
CID 79433070

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine (CID 79442011) is 2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine is CCNCC(Cc1csc(C)n1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is KLXYYGSJHRRXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-3-17-9-13(8-15-10-19-11(2)18-15)12-4-6-14(16)7-5-12/h4-7,10,13,17H,3,8-9H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine?
2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 339.30 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 79442011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).