4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline

C14H17BrN2OS — CID 82857898

IUPAC4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline
SMILESCOc1cc(NC(C)c2sc(C)nc2C)ccc1Br
InChIInChI=1S/C14H17BrN2OS/c1-8-14(19-10(3)16-8)9(2)17-11-5-6-12(15)13(7-11)18-4/h5-7,9,17H,1-4H3
InChIKeyOBJKQSXFRLHQSI-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.70
Rot. Bonds4

About 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline

4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline (PubChem CID 82857898) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline
PubChem CID82857898
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline
SMILESCOc1cc(NC(C)c2sc(C)nc2C)ccc1Br
InChIInChI=1S/C14H17BrN2OS/c1-8-14(19-10(3)16-8)9(2)17-11-5-6-12(15)13(7-11)18-4/h5-7,9,17H,1-4H3
InChIKeyOBJKQSXFRLHQSI-UHFFFAOYSA-N
XLogP4.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751888
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxy-6-methylaniline
CID 63752631
3-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluoroaniline
CID 63750612
N-[1-(1-benzothiophen-2-yl)ethyl]-4-bromo-3-methoxyaniline
CID 114910028
3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline
CID 63752106
4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline
CID 82857420
4-bromo-3-methoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 82857351
4-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-3-methoxyaniline
CID 82858351
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinolin-6-amine
CID 63753119
4-bromo-3-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]aniline
CID 114265813
4-bromo-N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 82857963
(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81396845

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline?
The IUPAC name of 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline (CID 82857898) is 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline.
What is the SMILES notation for 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline?
The canonical SMILES for 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline is COc1cc(NC(C)c2sc(C)nc2C)ccc1Br.
What is the InChIKey of 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline?
The InChIKey is OBJKQSXFRLHQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-8-14(19-10(3)16-8)9(2)17-11-5-6-12(15)13(7-11)18-4/h5-7,9,17H,1-4H3.
What are the key properties of 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline?
4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline has a molecular weight of 341.27 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 82857898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).