N-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine

C12H19N5S — CID 91829447

IUPACN-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CN(C)CCn2ccnc2C)cs1
InChIInChI=1S/C12H19N5S/c1-10-14-4-5-17(10)7-6-16(3)8-11-9-18-12(13-2)15-11/h4-5,9H,6-8H2,1-3H3,(H,13,15)
InChIKeyUWMTWGBHVFYATJ-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.82
Rot. Bonds6

About N-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine

N-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine (PubChem CID 91829447) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine
PubChem CID91829447
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CN(C)CCn2ccnc2C)cs1
InChIInChI=1S/C12H19N5S/c1-10-14-4-5-17(10)7-6-16(3)8-11-9-18-12(13-2)15-11/h4-5,9H,6-8H2,1-3H3,(H,13,15)
InChIKeyUWMTWGBHVFYATJ-UHFFFAOYSA-N
XLogP1.82
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine (CID 91829447) is N-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine is CNc1nc(CN(C)CCn2ccnc2C)cs1.
What is the InChIKey of N-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is UWMTWGBHVFYATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-10-14-4-5-17(10)7-6-16(3)8-11-9-18-12(13-2)15-11/h4-5,9H,6-8H2,1-3H3,(H,13,15).
What are the key properties of N-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine?
N-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 265.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 91829447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).