5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine

C13H15N5S — CID 43564433

IUPAC5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(Cc1ccncc1)c1nc2sccn2c1CN
InChIInChI=1S/C13H15N5S/c1-17(9-10-2-4-15-5-3-10)12-11(8-14)18-6-7-19-13(18)16-12/h2-7H,8-9,14H2,1H3
InChIKeyMDEQPEBSGAIAFP-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.89
Rot. Bonds4

About 5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine

5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine (PubChem CID 43564433) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
PubChem CID43564433
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine
SMILESCN(Cc1ccncc1)c1nc2sccn2c1CN
InChIInChI=1S/C13H15N5S/c1-17(9-10-2-4-15-5-3-10)12-11(8-14)18-6-7-19-13(18)16-12/h2-7H,8-9,14H2,1H3
InChIKeyMDEQPEBSGAIAFP-UHFFFAOYSA-N
XLogP1.89
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The IUPAC name of 5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine (CID 43564433) is 5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine.
What is the SMILES notation for 5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The canonical SMILES for 5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine is CN(Cc1ccncc1)c1nc2sccn2c1CN.
What is the InChIKey of 5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
The InChIKey is MDEQPEBSGAIAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-17(9-10-2-4-15-5-3-10)12-11(8-14)18-6-7-19-13(18)16-12/h2-7H,8-9,14H2,1H3.
What are the key properties of 5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine?
5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine has a molecular weight of 273.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-amine is sourced from PubChem (CID 43564433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).