(5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine

C11H10BrFN2S — CID 43559026

IUPAC(5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1cnc(C(N)c2cc(Br)ccc2F)s1
InChIInChI=1S/C11H10BrFN2S/c1-6-5-15-11(16-6)10(14)8-4-7(12)2-3-9(8)13/h2-5,10H,14H2,1H3
InChIKeyDFJBFKGHDKXKKG-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.40
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine

(5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 43559026) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID43559026
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC Name(5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1cnc(C(N)c2cc(Br)ccc2F)s1
InChIInChI=1S/C11H10BrFN2S/c1-6-5-15-11(16-6)10(14)8-4-7(12)2-3-9(8)13/h2-5,10H,14H2,1H3
InChIKeyDFJBFKGHDKXKKG-UHFFFAOYSA-N
XLogP3.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105011918
(5-bromo-2-fluorophenyl)-(2-methylthiophen-3-yl)methanamine
CID 102834092
(5-bromo-2-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105167418
(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 61104169
(5-methyl-1,3-thiazol-2-yl)-(4-propan-2-ylphenyl)methanamine
CID 43558963
(4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43558943
(5-methyl-1,3-thiazol-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43559003
(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
1-(5-bromo-2-fluorophenyl)-3-methylbutane-1,3-diamine
CID 116933616
2-[bromo-(5-bromo-2-fluorophenyl)methyl]-5-methylthiophene
CID 63435784
(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
CID 105011988
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine (CID 43559026) is (5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine is Cc1cnc(C(N)c2cc(Br)ccc2F)s1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is DFJBFKGHDKXKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c1-6-5-15-11(16-6)10(14)8-4-7(12)2-3-9(8)13/h2-5,10H,14H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
(5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 301.18 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 43559026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).