1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

C14H16BrFN2S — CID 61332525

IUPAC1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1ccc(F)c(Br)c1)c1nc(C(C)C)cs1
InChIInChI=1S/C14H16BrFN2S/c1-8(2)12-7-19-14(18-12)13(17-3)9-4-5-11(16)10(15)6-9/h4-8,13,17H,1-3H3
InChIKeyUEMOUTLCBMYPBG-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.48
Rot. Bonds4

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

1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 61332525) has the molecular formula C14H16BrFN2S and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
PubChem CID61332525
Molecular FormulaC14H16BrFN2S
Molecular Weight343.27 g/mol
Exact Mass342.02
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCNC(c1ccc(F)c(Br)c1)c1nc(C(C)C)cs1
InChIInChI=1S/C14H16BrFN2S/c1-8(2)12-7-19-14(18-12)13(17-3)9-4-5-11(16)10(15)6-9/h4-8,13,17H,1-3H3
InChIKeyUEMOUTLCBMYPBG-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine with MolForge

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Related Compounds

N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66481209
N-[(4-bromo-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480410
1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107979866
(4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 55146785
(3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 105402306
N-[(3-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335804
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 62122089
N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331610
1-(4-bromo-3-chlorophenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 81290682
1-(3-bromo-4-fluorophenyl)-1-(2-bromophenyl)-N-methylmethanamine
CID 79746439
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 82790188
(4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 54980335

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (CID 61332525) is 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is CNC(c1ccc(F)c(Br)c1)c1nc(C(C)C)cs1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is UEMOUTLCBMYPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2S/c1-8(2)12-7-19-14(18-12)13(17-3)9-4-5-11(16)10(15)6-9/h4-8,13,17H,1-3H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 343.27 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 61332525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).