1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine

C15H17BrF2N2S — CID 107538587

IUPAC1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
SMILESCC(C)(C)c1csc(CC(N)c2ccc(F)c(F)c2Br)n1
InChIInChI=1S/C15H17BrF2N2S/c1-15(2,3)11-7-21-12(20-11)6-10(19)8-4-5-9(17)14(18)13(8)16/h4-5,7,10H,6,19H2,1-3H3
InChIKeyZEAWYFPPGZCMNX-UHFFFAOYSA-N
MW375.28 g/mol
LogP4.72
Rot. Bonds3

About 1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine

1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 107538587) has the molecular formula C15H17BrF2N2S and a molecular weight of 375.28 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
PubChem CID107538587
Molecular FormulaC15H17BrF2N2S
Molecular Weight375.28 g/mol
Exact Mass374.03
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
SMILESCC(C)(C)c1csc(CC(N)c2ccc(F)c(F)c2Br)n1
InChIInChI=1S/C15H17BrF2N2S/c1-15(2,3)11-7-21-12(20-11)6-10(19)8-4-5-9(17)14(18)13(8)16/h4-5,7,10H,6,19H2,1-3H3
InChIKeyZEAWYFPPGZCMNX-UHFFFAOYSA-N
XLogP4.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 106858230
1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 105016098
1-(5-bromo-2-fluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79819776
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 79819502
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-difluorophenyl)ethanol
CID 79820006
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105169573
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 79820438
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79820432
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105016076
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 79819506
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065878
1-(2-amino-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79820270

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine (CID 107538587) is 1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine is CC(C)(C)c1csc(CC(N)c2ccc(F)c(F)c2Br)n1.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is ZEAWYFPPGZCMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF2N2S/c1-15(2,3)11-7-21-12(20-11)6-10(19)8-4-5-9(17)14(18)13(8)16/h4-5,7,10H,6,19H2,1-3H3.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine?
1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 375.28 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 107538587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).