N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine

C14H20N4S — CID 106579897

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NC(C)c1ncc(CC)s1
InChIInChI=1S/C14H20N4S/c1-5-7-18-9-10(3)16-14(18)17-11(4)13-15-8-12(6-2)19-13/h5,8-9,11H,1,6-7H2,2-4H3,(H,16,17)
InChIKeyUTIKIEXNFHBRMO-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.57
Rot. Bonds6

About N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine (PubChem CID 106579897) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine
PubChem CID106579897
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1NC(C)c1ncc(CC)s1
InChIInChI=1S/C14H20N4S/c1-5-7-18-9-10(3)16-14(18)17-11(4)13-15-8-12(6-2)19-13/h5,8-9,11H,1,6-7H2,2-4H3,(H,16,17)
InChIKeyUTIKIEXNFHBRMO-UHFFFAOYSA-N
XLogP3.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448693
2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine
CID 106566233
4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567600
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-iodopyrimidin-2-amine
CID 104844066
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine
CID 106579895
5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 115681173
4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine
CID 106554780
2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 113387591
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106575425
2-ethyl-4-methyl-1-prop-2-enylimidazole
CID 19066610
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106579879
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107554326

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine (CID 106579897) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1NC(C)c1ncc(CC)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The InChIKey is UTIKIEXNFHBRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-5-7-18-9-10(3)16-14(18)17-11(4)13-15-8-12(6-2)19-13/h5,8-9,11H,1,6-7H2,2-4H3,(H,16,17).
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methyl-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106579897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).