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

C12H22N2S — CID 114368564

IUPACN-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CC)nc1CC(C)C
InChIInChI=1S/C12H22N2S/c1-5-12-14-10(7-9(3)4)11(15-12)8-13-6-2/h9,13H,5-8H2,1-4H3
InChIKeyOXHIWNOWTFVXIC-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.01
Rot. Bonds6

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

N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114368564) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114368564
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CC)nc1CC(C)C
InChIInChI=1S/C12H22N2S/c1-5-12-14-10(7-9(3)4)11(15-12)8-13-6-2/h9,13H,5-8H2,1-4H3
InChIKeyOXHIWNOWTFVXIC-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylpropyl)-2-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368491
N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368777
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434587
N-[[2-(cyclopentylsulfanylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368770
N-[[2-[(2-methylphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368742
N-[[2-(3-methyl-1,4-dithian-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368580
N-[[2-(methoxymethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368906
N-[[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368736
1-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82429503
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368513
N-[[2,4-bis(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369727

Frequently Asked Questions

What is the IUPAC name of N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114368564) is N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CC)nc1CC(C)C.
What is the InChIKey of N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is OXHIWNOWTFVXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-5-12-14-10(7-9(3)4)11(15-12)8-13-6-2/h9,13H,5-8H2,1-4H3.
What are the key properties of N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 226.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114368564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).