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

C14H24N2S — CID 114016605

IUPACN-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2CC2(C)C)nc1C(C)C
InChIInChI=1S/C14H24N2S/c1-6-15-8-11-12(9(2)3)16-13(17-11)10-7-14(10,4)5/h9-10,15H,6-8H2,1-5H3
InChIKeyZGLQTKJCGTYPDI-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.89
Rot. Bonds5

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

N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114016605) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114016605
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2CC2(C)C)nc1C(C)C
InChIInChI=1S/C14H24N2S/c1-6-15-8-11-12(9(2)3)16-13(17-11)10-7-14(10,4)5/h9-10,15H,6-8H2,1-5H3
InChIKeyZGLQTKJCGTYPDI-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-methylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114364953
N-[[2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 107925861
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-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434587
N-cyclopropyl-5-(ethylaminomethyl)-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392932
5-(ethylaminomethyl)-N-methyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395786
N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79381940
N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365150
N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79396441
N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79383413
N-[[2-(4-cyclopropylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79380919

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (CID 114016605) is N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C2CC2(C)C)nc1C(C)C.
What is the InChIKey of N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is ZGLQTKJCGTYPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-6-15-8-11-12(9(2)3)16-13(17-11)10-7-14(10,4)5/h9-10,15H,6-8H2,1-5H3.
What are the key properties of N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 252.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114016605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).