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

C12H9ClIN3S — CID 107634891

IUPAC4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline
SMILESClc1ccc(NCc2cn3ccsc3n2)c(I)c1
InChIInChI=1S/C12H9ClIN3S/c13-8-1-2-11(10(14)5-8)15-6-9-7-17-3-4-18-12(17)16-9/h1-5,7,15H,6H2
InChIKeyBLYLFVNBBIFCEC-UHFFFAOYSA-N
MW389.65 g/mol
LogP4.27
Rot. Bonds3

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

4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline (PubChem CID 107634891) has the molecular formula C12H9ClIN3S and a molecular weight of 389.65 g/mol. Its IUPAC name is 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline.

Molecular Properties

Compound Name4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline
PubChem CID107634891
Molecular FormulaC12H9ClIN3S
Molecular Weight389.65 g/mol
Exact Mass388.93
IUPAC Name4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline
SMILESClc1ccc(NCc2cn3ccsc3n2)c(I)c1
InChIInChI=1S/C12H9ClIN3S/c13-8-1-2-11(10(14)5-8)15-6-9-7-17-3-4-18-12(17)16-9/h1-5,7,15H,6H2
InChIKeyBLYLFVNBBIFCEC-UHFFFAOYSA-N
XLogP4.27
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.65
LogP ≤ 54.27
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

4-chloro-2-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107632054
2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline
CID 113288753
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
CID 113288748
1-(3-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)methanamine
CID 115278962
1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 78918734
5-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)benzonitrile
CID 82016728
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
6-[(3-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334810
(1S)-1-(4-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115331754
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866
[5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methanamine
CID 115331284
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine
CID 115331690

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline?
The IUPAC name of 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline (CID 107634891) is 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline.
What is the SMILES notation for 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline?
The canonical SMILES for 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline is Clc1ccc(NCc2cn3ccsc3n2)c(I)c1.
What is the InChIKey of 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline?
The InChIKey is BLYLFVNBBIFCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClIN3S/c13-8-1-2-11(10(14)5-8)15-6-9-7-17-3-4-18-12(17)16-9/h1-5,7,15H,6H2.
What are the key properties of 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline?
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline has a molecular weight of 389.65 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline is sourced from PubChem (CID 107634891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).