N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

C13H22N4S — CID 120971913

IUPACN-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCc1csc(C(C)(C)C)n1
InChIInChI=1S/C13H22N4S/c1-13(2,3)11-16-10(9-18-11)5-6-14-12-15-7-8-17(12)4/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyGBRYOUCOJSPJCB-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.87
Rot. Bonds3

About N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120971913) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120971913
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCCc1csc(C(C)(C)C)n1
InChIInChI=1S/C13H22N4S/c1-13(2,3)11-16-10(9-18-11)5-6-14-12-15-7-8-17(12)4/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyGBRYOUCOJSPJCB-UHFFFAOYSA-N
XLogP1.87
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133415181
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-4-methylpyrimidin-2-amine
CID 133415137
N-[2-(6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972103
3-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122066295
4-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133415061
1-methyl-N-(2-piperidin-1-ylethyl)-4,5-dihydroimidazol-2-amine
CID 120969301
N-[2-(2-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969157
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133415163
4-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzenesulfonamide
CID 120969031
4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888399
2-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133415084
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111934457

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120971913) is N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCCc1csc(C(C)(C)C)n1.
What is the InChIKey of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is GBRYOUCOJSPJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-13(2,3)11-16-10(9-18-11)5-6-14-12-15-7-8-17(12)4/h9H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 266.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120971913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).