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

C14H17BrN2S — CID 81381393

IUPAC(1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1ncsc1CCN[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C14H17BrN2S/c1-10(12-4-3-5-13(15)8-12)16-7-6-14-11(2)17-9-18-14/h3-5,8-10,16H,6-7H2,1-2H3/t10-/m1/s1
InChIKeyFGJJGKFLOWLKPV-SNVBAGLBSA-N
MW325.28 g/mol
LogP4.11
Rot. Bonds5

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

(1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine (PubChem CID 81381393) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
PubChem CID81381393
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name(1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
SMILESCc1ncsc1CCN[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C14H17BrN2S/c1-10(12-4-3-5-13(15)8-12)16-7-6-14-11(2)17-9-18-14/h3-5,8-10,16H,6-7H2,1-2H3/t10-/m1/s1
InChIKeyFGJJGKFLOWLKPV-SNVBAGLBSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81372103
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406260
2-(3-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79443219
N-[(3-bromophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62070812
1-(3-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 113246949
(1S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81407952
N-ethyl-1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]phenyl]ethanamine
CID 64666328
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55170713
(1R)-1-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81400379
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
(1S)-1-(3-bromophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81380969
(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine (CID 81381393) is (1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine is Cc1ncsc1CCN[C@H](C)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
The InChIKey is FGJJGKFLOWLKPV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-10(12-4-3-5-13(15)8-12)16-7-6-14-11(2)17-9-18-14/h3-5,8-10,16H,6-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine?
(1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine has a molecular weight of 325.28 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 81381393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).