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

C14H13Cl2N3S — CID 65467972

IUPAC2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCc1cn2c(CNc3c(Cl)cccc3Cl)c(C)nc2s1
InChIInChI=1S/C14H13Cl2N3S/c1-8-7-19-12(9(2)18-14(19)20-8)6-17-13-10(15)4-3-5-11(13)16/h3-5,7,17H,6H2,1-2H3
InChIKeyIJJWZHBMNLXPML-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.93
Rot. Bonds3

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

2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (PubChem CID 65467972) has the molecular formula C14H13Cl2N3S and a molecular weight of 326.25 g/mol. Its IUPAC name is 2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
PubChem CID65467972
Molecular FormulaC14H13Cl2N3S
Molecular Weight326.25 g/mol
Exact Mass325.02
IUPAC Name2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
SMILESCc1cn2c(CNc3c(Cl)cccc3Cl)c(C)nc2s1
InChIInChI=1S/C14H13Cl2N3S/c1-8-7-19-12(9(2)18-14(19)20-8)6-17-13-10(15)4-3-5-11(13)16/h3-5,7,17H,6H2,1-2H3
InChIKeyIJJWZHBMNLXPML-UHFFFAOYSA-N
XLogP4.93
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The IUPAC name of 2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline (CID 65467972) is 2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is Cc1cn2c(CNc3c(Cl)cccc3Cl)c(C)nc2s1.
What is the InChIKey of 2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
The InChIKey is IJJWZHBMNLXPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3S/c1-8-7-19-12(9(2)18-14(19)20-8)6-17-13-10(15)4-3-5-11(13)16/h3-5,7,17H,6H2,1-2H3.
What are the key properties of 2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline?
2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline has a molecular weight of 326.25 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 65467972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).