1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine

C12H18N4S — CID 131909145

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2nc(C)c(C)n2C)cs1
InChIInChI=1S/C12H18N4S/c1-8-9(2)16(4)12(14-8)6-13-5-11-7-17-10(3)15-11/h7,13H,5-6H2,1-4H3
InChIKeyHORXDQSDDRZBGL-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.09
Rot. Bonds4

About 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine

1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine (PubChem CID 131909145) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
PubChem CID131909145
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2nc(C)c(C)n2C)cs1
InChIInChI=1S/C12H18N4S/c1-8-9(2)16(4)12(14-8)6-13-5-11-7-17-10(3)15-11/h7,13H,5-6H2,1-4H3
InChIKeyHORXDQSDDRZBGL-UHFFFAOYSA-N
XLogP2.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine (CID 131909145) is 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine is Cc1nc(CNCc2nc(C)c(C)n2C)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine?
The InChIKey is HORXDQSDDRZBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8-9(2)16(4)12(14-8)6-13-5-11-7-17-10(3)15-11/h7,13H,5-6H2,1-4H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine?
1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine has a molecular weight of 250.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 131909145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).