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

C14H14ClN3S — CID 115333568

IUPAC1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
SMILESCNC(Cc1cn2ccsc2n1)c1ccccc1Cl
InChIInChI=1S/C14H14ClN3S/c1-16-13(11-4-2-3-5-12(11)15)8-10-9-18-6-7-19-14(18)17-10/h2-7,9,13,16H,8H2,1H3
InChIKeyKROFSCQKGDXISJ-UHFFFAOYSA-N
MW291.81 g/mol
LogP3.55
Rot. Bonds4

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

1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine (PubChem CID 115333568) has the molecular formula C14H14ClN3S and a molecular weight of 291.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
PubChem CID115333568
Molecular FormulaC14H14ClN3S
Molecular Weight291.81 g/mol
Exact Mass291.06
IUPAC Name1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
SMILESCNC(Cc1cn2ccsc2n1)c1ccccc1Cl
InChIInChI=1S/C14H14ClN3S/c1-16-13(11-4-2-3-5-12(11)15)8-10-9-18-6-7-19-14(18)17-10/h2-7,9,13,16H,8H2,1H3
InChIKeyKROFSCQKGDXISJ-UHFFFAOYSA-N
XLogP3.55
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-ethyl-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-1-amine
CID 115334428
1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105023768
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
CID 115333927
1-(1,5-dimethylpyrazol-4-yl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105174084
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 113289240
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine
CID 105023630
1-(2-chloro-6-fluorophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylpropan-2-amine
CID 115333619
1-(3-bromo-5-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 107946541
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023390
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105023446
3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 115334399
1-(4-ethylthiadiazol-5-yl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105174064

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
The IUPAC name of 1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine (CID 115333568) is 1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine is CNC(Cc1cn2ccsc2n1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
The InChIKey is KROFSCQKGDXISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S/c1-16-13(11-4-2-3-5-12(11)15)8-10-9-18-6-7-19-14(18)17-10/h2-7,9,13,16H,8H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine?
1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine has a molecular weight of 291.81 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine is sourced from PubChem (CID 115333568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).