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

C12H16N4S — CID 106572955

IUPAC1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine
SMILESCc1cn(C2CC2)c(NCc2scnc2C)n1
InChIInChI=1S/C12H16N4S/c1-8-6-16(10-3-4-10)12(15-8)13-5-11-9(2)14-7-17-11/h6-7,10H,3-5H2,1-2H3,(H,13,15)
InChIKeyZIEQEYOUNNNZJF-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.90
Rot. Bonds4

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

1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine (PubChem CID 106572955) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine
PubChem CID106572955
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine
SMILESCc1cn(C2CC2)c(NCc2scnc2C)n1
InChIInChI=1S/C12H16N4S/c1-8-6-16(10-3-4-10)12(15-8)13-5-11-9(2)14-7-17-11/h6-7,10H,3-5H2,1-2H3,(H,13,15)
InChIKeyZIEQEYOUNNNZJF-UHFFFAOYSA-N
XLogP2.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-1-cyclopropyl-4-methylimidazol-2-amine
CID 106577750
1-cyclohexyl-N-[(3-ethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine
CID 106577600
1-cyclohexyl-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]imidazol-2-amine
CID 106564203
1-cyclopentyl-4-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 106559875
1-cyclohexyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-amine
CID 106567783
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
N-cyclobutyl-1-cyclopropyl-4-methylimidazol-2-amine
CID 106571424
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211
1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
CID 106572633
1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
N-[2-[(1-cyclopropyl-4-methylimidazol-2-yl)amino]ethyl]acetamide
CID 106562369
3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 63283679

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine?
The IUPAC name of 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine (CID 106572955) is 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine is Cc1cn(C2CC2)c(NCc2scnc2C)n1.
What is the InChIKey of 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine?
The InChIKey is ZIEQEYOUNNNZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-8-6-16(10-3-4-10)12(15-8)13-5-11-9(2)14-7-17-11/h6-7,10H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine?
1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106572955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).