N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine

C14H17N5S — CID 61016502

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(CNCc2c(C)nc3sc(C)cn23)n1
InChIInChI=1S/C14H17N5S/c1-9-8-19-13(10(2)17-14(19)20-9)7-15-6-12-4-5-16-11(3)18-12/h4-5,8,15H,6-7H2,1-3H3
InChIKeyJGWUVOOECIGYBA-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.40
Rot. Bonds4

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 61016502) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
PubChem CID61016502
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(CNCc2c(C)nc3sc(C)cn23)n1
InChIInChI=1S/C14H17N5S/c1-9-8-19-13(10(2)17-14(19)20-9)7-15-6-12-4-5-16-11(3)18-12/h4-5,8,15H,6-7H2,1-3H3
InChIKeyJGWUVOOECIGYBA-UHFFFAOYSA-N
XLogP2.40
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine (CID 61016502) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine is Cc1nccc(CNCc2c(C)nc3sc(C)cn23)n1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is JGWUVOOECIGYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-9-8-19-13(10(2)17-14(19)20-9)7-15-6-12-4-5-16-11(3)18-12/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 287.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 61016502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).