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

C14H22N4OS — CID 106571808

IUPACN-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1CCc1nc(C)cs1
InChIInChI=1S/C14H22N4OS/c1-10-7-18(6-5-13-15-12(3)9-20-13)14(16-10)17-11(2)8-19-4/h7,9,11H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyUZDZIMIATPPIQQ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.65
Rot. Bonds7

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

N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine (PubChem CID 106571808) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
PubChem CID106571808
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1CCc1nc(C)cs1
InChIInChI=1S/C14H22N4OS/c1-10-7-18(6-5-13-15-12(3)9-20-13)14(16-10)17-11(2)8-19-4/h7,9,11H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyUZDZIMIATPPIQQ-UHFFFAOYSA-N
XLogP2.65
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine (CID 106571808) is N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine is COCC(C)Nc1nc(C)cn1CCc1nc(C)cs1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The InChIKey is UZDZIMIATPPIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-10-7-18(6-5-13-15-12(3)9-20-13)14(16-10)17-11(2)8-19-4/h7,9,11H,5-6,8H2,1-4H3,(H,16,17).
What are the key properties of N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine has a molecular weight of 294.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106571808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).