1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine

C15H16ClN3S — CID 105023768

IUPAC1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
SMILESCNC(Cc1cn2ccsc2n1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H16ClN3S/c1-10-3-4-11(7-13(10)16)14(17-2)8-12-9-19-5-6-20-15(19)18-12/h3-7,9,14,17H,8H2,1-2H3
InChIKeyMTJRNJXWAGONQT-UHFFFAOYSA-N
MW305.83 g/mol
LogP3.86
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine

1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine (PubChem CID 105023768) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
PubChem CID105023768
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
SMILESCNC(Cc1cn2ccsc2n1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H16ClN3S/c1-10-3-4-11(7-13(10)16)14(17-2)8-12-9-19-5-6-20-15(19)18-12/h3-7,9,14,17H,8H2,1-2H3
InChIKeyMTJRNJXWAGONQT-UHFFFAOYSA-N
XLogP3.86
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023712
1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333502
1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333568
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105023446
1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 107946541
1-(4-chloro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115828301
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333503
[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methoxy-3-methylphenyl)ethyl]hydrazine
CID 105258306
N-[1-(3-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]propan-1-amine
CID 115333433
[1-(3,5-dimethylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 105328770
1-(1,5-dimethylpyrazol-4-yl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105174084
[1-(5-fluoro-2-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethyl]hydrazine
CID 105211512

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine (CID 105023768) is 1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine is CNC(Cc1cn2ccsc2n1)c1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
The InChIKey is MTJRNJXWAGONQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-10-3-4-11(7-13(10)16)14(17-2)8-12-9-19-5-6-20-15(19)18-12/h3-7,9,14,17H,8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine has a molecular weight of 305.83 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine is sourced from PubChem (CID 105023768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).