1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine

C14H13Cl2N3S — CID 78918734

IUPAC1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
SMILESCC(NCc1cn2ccsc2n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3S/c1-9(12-3-2-10(15)6-13(12)16)17-7-11-8-19-4-5-20-14(19)18-11/h2-6,8-9,17H,7H2,1H3
InChIKeyJFIZZJZEXORDKP-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.55
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine

1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine (PubChem CID 78918734) has the molecular formula C14H13Cl2N3S and a molecular weight of 326.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
PubChem CID78918734
Molecular FormulaC14H13Cl2N3S
Molecular Weight326.25 g/mol
Exact Mass325.02
IUPAC Name1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
SMILESCC(NCc1cn2ccsc2n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N3S/c1-9(12-3-2-10(15)6-13(12)16)17-7-11-8-19-4-5-20-14(19)18-11/h2-6,8-9,17H,7H2,1H3
InChIKeyJFIZZJZEXORDKP-UHFFFAOYSA-N
XLogP4.55
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115331754
(1S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 115331752
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 83187591
1-(1-benzothiophen-3-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 167790798
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
4-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103233985
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 81333805
(1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine
CID 115331781
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023390
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline
CID 107634891
(1S)-1-(2,4-dichlorophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 9254406
(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 97230770

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine (CID 78918734) is 1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine is CC(NCc1cn2ccsc2n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine?
The InChIKey is JFIZZJZEXORDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3S/c1-9(12-3-2-10(15)6-13(12)16)17-7-11-8-19-4-5-20-14(19)18-11/h2-6,8-9,17H,7H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine?
1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine has a molecular weight of 326.25 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine is sourced from PubChem (CID 78918734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).