4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline

C14H13BrClN3S — CID 107619022

IUPAC4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCc1cn2c(CNc3ccc(Br)c(Cl)c3)c(C)nc2s1
InChIInChI=1S/C14H13BrClN3S/c1-8-7-19-13(9(2)18-14(19)20-8)6-17-10-3-4-11(15)12(16)5-10/h3-5,7,17H,6H2,1-2H3
InChIKeyPBXJHUOAXOHCBX-UHFFFAOYSA-N
MW370.70 g/mol
LogP5.04
Rot. Bonds3

About 4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline

4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (PubChem CID 107619022) has the molecular formula C14H13BrClN3S and a molecular weight of 370.70 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
PubChem CID107619022
Molecular FormulaC14H13BrClN3S
Molecular Weight370.70 g/mol
Exact Mass368.97
IUPAC Name4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCc1cn2c(CNc3ccc(Br)c(Cl)c3)c(C)nc2s1
InChIInChI=1S/C14H13BrClN3S/c1-8-7-19-13(9(2)18-14(19)20-8)6-17-10-3-4-11(15)12(16)5-10/h3-5,7,17H,6H2,1-2H3
InChIKeyPBXJHUOAXOHCBX-UHFFFAOYSA-N
XLogP5.04
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.70
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-methoxyaniline
CID 79480555
3-bromo-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-methoxyaniline
CID 63999868
2,4,6-trichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43625869
2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 65467972
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3-ethoxyaniline
CID 60936482
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43625905
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79101097
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-methylpyrazol-3-amine
CID 60807858
(1R)-1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 81374703
1-(2-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43625803
2-(4-chlorophenyl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43625798
4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103823395

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The IUPAC name of 4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (CID 107619022) is 4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is Cc1cn2c(CNc3ccc(Br)c(Cl)c3)c(C)nc2s1.
What is the InChIKey of 4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The InChIKey is PBXJHUOAXOHCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3S/c1-8-7-19-13(9(2)18-14(19)20-8)6-17-10-3-4-11(15)12(16)5-10/h3-5,7,17H,6H2,1-2H3.
What are the key properties of 4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline has a molecular weight of 370.70 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 107619022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).