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

C14H20N4S — CID 106572633

IUPAC1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
SMILESCc1cn(C2CCCC2)c(NCCc2cscn2)n1
InChIInChI=1S/C14H20N4S/c1-11-8-18(13-4-2-3-5-13)14(17-11)15-7-6-12-9-19-10-16-12/h8-10,13H,2-7H2,1H3,(H,15,17)
InChIKeyJKYNTEMXQCIBCP-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.42
Rot. Bonds5

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

1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine (PubChem CID 106572633) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
PubChem CID106572633
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
SMILESCc1cn(C2CCCC2)c(NCCc2cscn2)n1
InChIInChI=1S/C14H20N4S/c1-11-8-18(13-4-2-3-5-13)14(17-11)15-7-6-12-9-19-10-16-12/h8-10,13H,2-7H2,1H3,(H,15,17)
InChIKeyJKYNTEMXQCIBCP-UHFFFAOYSA-N
XLogP3.42
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
CID 106572643
N-(2-cyclohexylethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106563352
1-cyclohexyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557289
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
1-cyclooctyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106557175
1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine
CID 106573799
1-cyclopentyl-N-(cyclopropylmethyl)-4-methylimidazol-2-amine
CID 106555211
1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
CID 106572621
N-(2-butoxyethyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106568338
1-cyclohexyl-4-methyl-N-(2-methylsulfonylethyl)imidazol-2-amine
CID 106563445
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine?
The IUPAC name of 1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine (CID 106572633) is 1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine is Cc1cn(C2CCCC2)c(NCCc2cscn2)n1.
What is the InChIKey of 1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine?
The InChIKey is JKYNTEMXQCIBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-11-8-18(13-4-2-3-5-13)14(17-11)15-7-6-12-9-19-10-16-12/h8-10,13H,2-7H2,1H3,(H,15,17).
What are the key properties of 1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine?
1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106572633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).