(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C13H15BrN2S — CID 81379629

IUPAC(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CN[C@H](C)c2ccccc2Br)s1
InChIInChI=1S/C13H15BrN2S/c1-9(12-5-3-4-6-13(12)14)15-7-11-8-16-10(2)17-11/h3-6,8-9,15H,7H2,1-2H3/t9-/m1/s1
InChIKeyFNESPQOIYHTHKZ-SECBINFHSA-N
MW311.25 g/mol
LogP4.06
Rot. Bonds4

About (1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 81379629) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID81379629
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CN[C@H](C)c2ccccc2Br)s1
InChIInChI=1S/C13H15BrN2S/c1-9(12-5-3-4-6-13(12)14)15-7-11-8-16-10(2)17-11/h3-6,8-9,15H,7H2,1-2H3/t9-/m1/s1
InChIKeyFNESPQOIYHTHKZ-SECBINFHSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60777482
1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786265
1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281995
(1S)-1-(2-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81383017
(1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81378611
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
5-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenol
CID 63067998
1-(2-bromophenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 43223395
(1S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 81383318
1-(2-bromophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43780222
3-bromo-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103697075
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60776659

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 81379629) is (1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncc(CN[C@H](C)c2ccccc2Br)s1.
What is the InChIKey of (1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is FNESPQOIYHTHKZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9(12-5-3-4-6-13(12)14)15-7-11-8-16-10(2)17-11/h3-6,8-9,15H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 311.25 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81379629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).