N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine

C15H16IN3S — CID 105023630

IUPACN-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine
SMILESCCNC(Cc1cn2ccsc2n1)c1ccccc1I
InChIInChI=1S/C15H16IN3S/c1-2-17-14(12-5-3-4-6-13(12)16)9-11-10-19-7-8-20-15(19)18-11/h3-8,10,14,17H,2,9H2,1H3
InChIKeySNMFRZPPUGLECH-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.89
Rot. Bonds5

About N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine

N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine (PubChem CID 105023630) has the molecular formula C15H16IN3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine
PubChem CID105023630
Molecular FormulaC15H16IN3S
Molecular Weight397.29 g/mol
Exact Mass397.01
IUPAC NameN-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine
SMILESCCNC(Cc1cn2ccsc2n1)c1ccccc1I
InChIInChI=1S/C15H16IN3S/c1-2-17-14(12-5-3-4-6-13(12)16)9-11-10-19-7-8-20-15(19)18-11/h3-8,10,14,17H,2,9H2,1H3
InChIKeySNMFRZPPUGLECH-UHFFFAOYSA-N
XLogP3.89
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-difluorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333650
1-(2,5-dibromophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023646
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023390
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methylsulfanylphenyl)ethanamine
CID 105023665
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105174090
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-phenylethyl)propan-1-amine
CID 115333467
1-(2-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333568
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023486
N-[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104790414
1-(3-chloro-4-methylphenyl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023712
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 115333503
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105174221

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine?
The IUPAC name of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine (CID 105023630) is N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine?
The canonical SMILES for N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine is CCNC(Cc1cn2ccsc2n1)c1ccccc1I.
What is the InChIKey of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine?
The InChIKey is SNMFRZPPUGLECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3S/c1-2-17-14(12-5-3-4-6-13(12)16)9-11-10-19-7-8-20-15(19)18-11/h3-8,10,14,17H,2,9H2,1H3.
What are the key properties of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine?
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine has a molecular weight of 397.29 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-iodophenyl)ethanamine is sourced from PubChem (CID 105023630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).