N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine

C15H16IN3OS — CID 43479817

IUPACN-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1c(Oc2ccccc2I)nc2sccn12
InChIInChI=1S/C15H16IN3OS/c1-2-7-17-10-12-14(18-15-19(12)8-9-21-15)20-13-6-4-3-5-11(13)16/h3-6,8-9,17H,2,7,10H2,1H3
InChIKeyNLUIUBDQHGGUKT-UHFFFAOYSA-N
MW413.28 g/mol
LogP4.29
Rot. Bonds6

About N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine

N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine (PubChem CID 43479817) has the molecular formula C15H16IN3OS and a molecular weight of 413.28 g/mol. Its IUPAC name is N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine
PubChem CID43479817
Molecular FormulaC15H16IN3OS
Molecular Weight413.28 g/mol
Exact Mass413.01
IUPAC NameN-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1c(Oc2ccccc2I)nc2sccn12
InChIInChI=1S/C15H16IN3OS/c1-2-7-17-10-12-14(18-15-19(12)8-9-21-15)20-13-6-4-3-5-11(13)16/h3-6,8-9,17H,2,7,10H2,1H3
InChIKeyNLUIUBDQHGGUKT-UHFFFAOYSA-N
XLogP4.29
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(2-methoxyphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476724
6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43479767
N-[(6-phenylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63804515
N-[[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 43476692
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 43758018
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine
CID 43761861
1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 64681770
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
3,3,3-trifluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63226560
1-[6-(2,3-difluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63037655
3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43769566
[6-(2-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 43476132

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine (CID 43479817) is N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine is CCCNCc1c(Oc2ccccc2I)nc2sccn12.
What is the InChIKey of N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is NLUIUBDQHGGUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3OS/c1-2-7-17-10-12-14(18-15-19(12)8-9-21-15)20-13-6-4-3-5-11(13)16/h3-6,8-9,17H,2,7,10H2,1H3.
What are the key properties of N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine?
N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 413.28 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 43479817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).