N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine

C12H11ClN6S — CID 9013504

IUPACN-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C\c2c(Cl)nc3sccn23)n1
InChIInChI=1S/C12H11ClN6S/c1-7-5-8(2)16-11(15-7)18-14-6-9-10(13)17-12-19(9)3-4-20-12/h3-6H,1-2H3,(H,15,16,18)/b14-6-
InChIKeyMCGWWFSZBZXEOQ-NSIKDUERSA-N
MW306.78 g/mol
LogP2.90
Rot. Bonds3

About N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine

N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 9013504) has the molecular formula C12H11ClN6S and a molecular weight of 306.78 g/mol. Its IUPAC name is N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID9013504
Molecular FormulaC12H11ClN6S
Molecular Weight306.78 g/mol
Exact Mass306.05
IUPAC NameN-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C\c2c(Cl)nc3sccn23)n1
InChIInChI=1S/C12H11ClN6S/c1-7-5-8(2)16-11(15-7)18-14-6-9-10(13)17-12-19(9)3-4-20-12/h3-6H,1-2H3,(H,15,16,18)/b14-6-
InChIKeyMCGWWFSZBZXEOQ-NSIKDUERSA-N
XLogP2.90
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 9013504) is N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(N/N=C\c2c(Cl)nc3sccn23)n1.
What is the InChIKey of N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is MCGWWFSZBZXEOQ-NSIKDUERSA-N. The full InChI is InChI=1S/C12H11ClN6S/c1-7-5-8(2)16-11(15-7)18-14-6-9-10(13)17-12-19(9)3-4-20-12/h3-6H,1-2H3,(H,15,16,18)/b14-6-.
What are the key properties of N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 306.78 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 9013504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).