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

C14H22N4S — CID 106571787

IUPAC1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
SMILESCCCCn1cc(C)nc1NCCc1nc(C)cs1
InChIInChI=1S/C14H22N4S/c1-4-5-8-18-9-11(2)17-14(18)15-7-6-13-16-12(3)10-19-13/h9-10H,4-8H2,1-3H3,(H,15,17)
InChIKeyFHZLGRACTXHDFA-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.41
Rot. Bonds7

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

1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine (PubChem CID 106571787) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
PubChem CID106571787
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
SMILESCCCCn1cc(C)nc1NCCc1nc(C)cs1
InChIInChI=1S/C14H22N4S/c1-4-5-8-18-9-11(2)17-14(18)15-7-6-13-16-12(3)10-19-13/h9-10H,4-8H2,1-3H3,(H,15,17)
InChIKeyFHZLGRACTXHDFA-UHFFFAOYSA-N
XLogP3.41
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571807
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
N,4-dimethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571785
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106557976
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
1-butyl-4-methyl-N-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582355
4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
CID 106572643
1-butyl-N-(2-imidazol-1-ylethyl)-4-methylimidazol-2-amine
CID 106569258
1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine
CID 106570045
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
4-methyl-N-propyl-1-(5,5,5-trifluoropentyl)imidazol-2-amine
CID 106579279

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The IUPAC name of 1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine (CID 106571787) is 1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The canonical SMILES for 1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine is CCCCn1cc(C)nc1NCCc1nc(C)cs1.
What is the InChIKey of 1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
The InChIKey is FHZLGRACTXHDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-4-5-8-18-9-11(2)17-14(18)15-7-6-13-16-12(3)10-19-13/h9-10H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine?
1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine has a molecular weight of 278.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106571787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).