2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline

C12H8Cl2N4S — CID 9069826

IUPAC2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline
SMILESClc1ccccc1N/N=C\c1c(Cl)nc2sccn12
InChIInChI=1S/C12H8Cl2N4S/c13-8-3-1-2-4-9(8)17-15-7-10-11(14)16-12-18(10)5-6-19-12/h1-7,17H/b15-7-
InChIKeyHAGUZMJZRBZPRJ-CHHVJCJISA-N
MW311.20 g/mol
LogP4.15
Rot. Bonds3

About 2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline

2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline (PubChem CID 9069826) has the molecular formula C12H8Cl2N4S and a molecular weight of 311.20 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline
PubChem CID9069826
Molecular FormulaC12H8Cl2N4S
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline
SMILESClc1ccccc1N/N=C\c1c(Cl)nc2sccn12
InChIInChI=1S/C12H8Cl2N4S/c13-8-3-1-2-4-9(8)17-15-7-10-11(14)16-12-18(10)5-6-19-12/h1-7,17H/b15-7-
InChIKeyHAGUZMJZRBZPRJ-CHHVJCJISA-N
XLogP4.15
TPSA41.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid
CID 6013637
4-[(2Z)-2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 6105148
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518070
[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 2799703
2-chloro-N'-[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide
CID 35929660
N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine
CID 2446974
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-ethoxybenzamide
CID 9214908
(Z)-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine
CID 8900414
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 2314132
6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739497
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(3-phenylpropyl)prop-2-enamide
CID 32979324
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-chlorophenyl)prop-2-enamide
CID 36678294

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline?
The IUPAC name of 2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline (CID 9069826) is 2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline.
What is the SMILES notation for 2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline?
The canonical SMILES for 2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline is Clc1ccccc1N/N=C\c1c(Cl)nc2sccn12.
What is the InChIKey of 2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline?
The InChIKey is HAGUZMJZRBZPRJ-CHHVJCJISA-N. The full InChI is InChI=1S/C12H8Cl2N4S/c13-8-3-1-2-4-9(8)17-15-7-10-11(14)16-12-18(10)5-6-19-12/h1-7,17H/b15-7-.
What are the key properties of 2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline?
2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline has a molecular weight of 311.20 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]aniline is sourced from PubChem (CID 9069826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).