(1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine

C14H17BrN2S — CID 81378611

IUPAC(1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1nc(C)c(CN[C@H](C)c2ccccc2Br)s1
InChIInChI=1S/C14H17BrN2S/c1-9(12-6-4-5-7-13(12)15)16-8-14-10(2)17-11(3)18-14/h4-7,9,16H,8H2,1-3H3/t9-/m1/s1
InChIKeyOCYHNHOYTMOGAE-SECBINFHSA-N
MW325.28 g/mol
LogP4.37
Rot. Bonds4

About (1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine

(1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 81378611) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is (1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID81378611
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name(1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1nc(C)c(CN[C@H](C)c2ccccc2Br)s1
InChIInChI=1S/C14H17BrN2S/c1-9(12-6-4-5-7-13(12)15)16-8-14-10(2)17-11(3)18-14/h4-7,9,16H,8H2,1-3H3/t9-/m1/s1
InChIKeyOCYHNHOYTMOGAE-SECBINFHSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81383017
(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81379629
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64540349
1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539114
1-(2-bromophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786265
N-[(2-bromophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61059932
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 64540777
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 64539925
(1R)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81383005
(1S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 81383318
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879387
N-[[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62830555

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 81378611) is (1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1nc(C)c(CN[C@H](C)c2ccccc2Br)s1.
What is the InChIKey of (1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is OCYHNHOYTMOGAE-SECBINFHSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-9(12-6-4-5-7-13(12)15)16-8-14-10(2)17-11(3)18-14/h4-7,9,16H,8H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
(1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 325.28 g/mol, XLogP of 4.37, 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-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81378611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).