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

C14H16N6S — CID 3341379

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NN=Cc2c(C)nc3scc(C)n23)n1
InChIInChI=1S/C14H16N6S/c1-8-5-9(2)17-13(16-8)19-15-6-12-11(4)18-14-20(12)10(3)7-21-14/h5-7H,1-4H3,(H,16,17,19)
InChIKeyJETUSMHEGNIFLA-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.87
Rot. Bonds3

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

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 3341379) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID3341379
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NN=Cc2c(C)nc3scc(C)n23)n1
InChIInChI=1S/C14H16N6S/c1-8-5-9(2)17-13(16-8)19-15-6-12-11(4)18-14-20(12)10(3)7-21-14/h5-7H,1-4H3,(H,16,17,19)
InChIKeyJETUSMHEGNIFLA-UHFFFAOYSA-N
XLogP2.87
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.87
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-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 3341379) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NN=Cc2c(C)nc3scc(C)n23)n1.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is JETUSMHEGNIFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-8-5-9(2)17-13(16-8)19-15-6-12-11(4)18-14-20(12)10(3)7-21-14/h5-7H,1-4H3,(H,16,17,19).
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 300.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 3341379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).