1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine

C13H20N4S — CID 50981890

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
SMILESCc1nc(C(C)N(C)Cc2nc[nH]c2C)c(C)s1
InChIInChI=1S/C13H20N4S/c1-8-12(15-7-14-8)6-17(5)9(2)13-10(3)18-11(4)16-13/h7,9H,6H2,1-5H3,(H,14,15)
InChIKeyVIBSGLMALHQJEG-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.98
Rot. Bonds4

About 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine

1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine (PubChem CID 50981890) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
PubChem CID50981890
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
SMILESCc1nc(C(C)N(C)Cc2nc[nH]c2C)c(C)s1
InChIInChI=1S/C13H20N4S/c1-8-12(15-7-14-8)6-17(5)9(2)13-10(3)18-11(4)16-13/h7,9H,6H2,1-5H3,(H,14,15)
InChIKeyVIBSGLMALHQJEG-UHFFFAOYSA-N
XLogP2.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine (CID 50981890) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine is Cc1nc(C(C)N(C)Cc2nc[nH]c2C)c(C)s1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The InChIKey is VIBSGLMALHQJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-8-12(15-7-14-8)6-17(5)9(2)13-10(3)18-11(4)16-13/h7,9H,6H2,1-5H3,(H,14,15).
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine has a molecular weight of 264.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 50981890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).