N-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

C9H13BrN4S — CID 122097081

IUPACN-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1nc(CNC2=NCC(C)N2)sc1Br
InChIInChI=1S/C9H13BrN4S/c1-5-3-11-9(13-5)12-4-7-14-6(2)8(10)15-7/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyUFMPREPUVOKRRN-UHFFFAOYSA-N
MW289.20 g/mol
LogP1.65
Rot. Bonds2

About N-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

N-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 122097081) has the molecular formula C9H13BrN4S and a molecular weight of 289.20 g/mol. Its IUPAC name is N-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID122097081
Molecular FormulaC9H13BrN4S
Molecular Weight289.20 g/mol
Exact Mass288.00
IUPAC NameN-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCc1nc(CNC2=NCC(C)N2)sc1Br
InChIInChI=1S/C9H13BrN4S/c1-5-3-11-9(13-5)12-4-7-14-6(2)8(10)15-7/h5H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyUFMPREPUVOKRRN-UHFFFAOYSA-N
XLogP1.65
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 122097081) is N-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is Cc1nc(CNC2=NCC(C)N2)sc1Br.
What is the InChIKey of N-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is UFMPREPUVOKRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4S/c1-5-3-11-9(13-5)12-4-7-14-6(2)8(10)15-7/h5H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of N-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
N-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 289.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-methyl-1,3-thiazol-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 122097081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).