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

C16H18BrFN2S — CID 61335850

IUPACN-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCC(C)c1csc(C(NC2CC2)c2ccc(Br)cc2F)n1
InChIInChI=1S/C16H18BrFN2S/c1-9(2)14-8-21-16(20-14)15(19-11-4-5-11)12-6-3-10(17)7-13(12)18/h3,6-9,11,15,19H,4-5H2,1-2H3
InChIKeyJWTVTZZGSXLFQZ-UHFFFAOYSA-N
MW369.30 g/mol
LogP5.01
Rot. Bonds5

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

N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 61335850) has the molecular formula C16H18BrFN2S and a molecular weight of 369.30 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID61335850
Molecular FormulaC16H18BrFN2S
Molecular Weight369.30 g/mol
Exact Mass368.04
IUPAC NameN-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCC(C)c1csc(C(NC2CC2)c2ccc(Br)cc2F)n1
InChIInChI=1S/C16H18BrFN2S/c1-9(2)14-8-21-16(20-14)15(19-11-4-5-11)12-6-3-10(17)7-13(12)18/h3,6-9,11,15,19H,4-5H2,1-2H3
InChIKeyJWTVTZZGSXLFQZ-UHFFFAOYSA-N
XLogP5.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.30
LogP ≤ 55.01
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-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114859222
N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335804
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61332525
N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine
CID 61335272
N-[1-(4-bromo-2-fluorophenyl)ethyl]thiolan-3-amine
CID 102613010
N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66481209
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 75515910
N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61346227
N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62543454
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 102612848

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 61335850) is N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine is CC(C)c1csc(C(NC2CC2)c2ccc(Br)cc2F)n1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is JWTVTZZGSXLFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2S/c1-9(2)14-8-21-16(20-14)15(19-11-4-5-11)12-6-3-10(17)7-13(12)18/h3,6-9,11,15,19H,4-5H2,1-2H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 369.30 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 61335850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).