N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine

C13H22N2S — CID 114364953

IUPACN-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2CC2C)nc1C(C)C
InChIInChI=1S/C13H22N2S/c1-5-14-7-11-12(8(2)3)15-13(16-11)10-6-9(10)4/h8-10,14H,5-7H2,1-4H3
InChIKeyBGSRGQXHYANVTM-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.50
Rot. Bonds5

About N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114364953) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114364953
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2CC2C)nc1C(C)C
InChIInChI=1S/C13H22N2S/c1-5-14-7-11-12(8(2)3)15-13(16-11)10-6-9(10)4/h8-10,14H,5-7H2,1-4H3
InChIKeyBGSRGQXHYANVTM-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114016605
N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365150
N-[[2-(4-ethylmorpholin-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365079
N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365037
N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392932
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434587
N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65419578
N-[[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79392603
5-(ethylaminomethyl)-N-methyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395786
N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79393593
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79393289
N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79381940

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (CID 114364953) is N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C2CC2C)nc1C(C)C.
What is the InChIKey of N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is BGSRGQXHYANVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-5-14-7-11-12(8(2)3)15-13(16-11)10-6-9(10)4/h8-10,14H,5-7H2,1-4H3.
What are the key properties of N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114364953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).