2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole

C16H11IN2OS — CID 54582539

IUPAC2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc([123I])cc3)cn12
InChIInChI=1S/C16H11IN2OS/c1-20-12-6-7-14-15(8-12)21-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,1H3/i17-4
InChIKeyGZXSLRKLKMEROV-HHRLKWFBSA-N
MW402.25 g/mol
LogP4.83
Rot. Bonds2

About 2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole

2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole (PubChem CID 54582539) has the molecular formula C16H11IN2OS and a molecular weight of 402.25 g/mol. Its IUPAC name is 2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
PubChem CID54582539
Molecular FormulaC16H11IN2OS
Molecular Weight402.25 g/mol
Exact Mass401.96
IUPAC Name2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc([123I])cc3)cn12
InChIInChI=1S/C16H11IN2OS/c1-20-12-6-7-14-15(8-12)21-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,1H3/i17-4
InChIKeyGZXSLRKLKMEROV-HHRLKWFBSA-N
XLogP4.83
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(7-Methoxyimidazo[2,1-b]benzothiazol-2-yl)-N,N-dimethyl-benzenamine
CID 24757796
4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline
CID 51002649
N-(2-aminoethyl)-4-(4-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093437
N-[3-(1H-imidazol-1-yl)propyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 6539205
6-(4-Methoxyphenyl)imidazo[2,1-b]thiazole
CID 369507
6-Methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 657882
2-(4-Methoxyphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 848469
7-Methoxy-2-(4-bromophenyl)-imidazo[2,1-b]benzothiazole
CID 19209621
5-(6-methoxybenzo[d]thiazol-2-yl)-N,N-dimethylpyridin-2-amine
CID 24757878
4-[6-(2-fluoroethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]-N-methylaniline
CID 46861593
4-(7-Methoxyimidazo[2,1-b]benzothiazol-2-yl)-benzenamine
CID 51002697
(18F)Fibt
CID 53494953

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole (CID 54582539) is 2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole is COc1ccc2c(c1)sc1nc(-c3ccc([123I])cc3)cn12.
What is the InChIKey of 2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is GZXSLRKLKMEROV-HHRLKWFBSA-N. The full InChI is InChI=1S/C16H11IN2OS/c1-20-12-6-7-14-15(8-12)21-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,1H3/i17-4.
What are the key properties of 2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole?
2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 402.25 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 54582539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).