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

C12H22N2S2 — CID 114368777

IUPACN-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CSC)nc1CC(C)C
InChIInChI=1S/C12H22N2S2/c1-5-13-7-11-10(6-9(2)3)14-12(16-11)8-15-4/h9,13H,5-8H2,1-4H3
InChIKeyIKWCDEBJMKRTJD-UHFFFAOYSA-N
MW258.46 g/mol
LogP3.31
Rot. Bonds7

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

N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114368777) has the molecular formula C12H22N2S2 and a molecular weight of 258.46 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114368777
Molecular FormulaC12H22N2S2
Molecular Weight258.46 g/mol
Exact Mass258.12
IUPAC NameN-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CSC)nc1CC(C)C
InChIInChI=1S/C12H22N2S2/c1-5-13-7-11-10(6-9(2)3)14-12(16-11)8-15-4/h9,13H,5-8H2,1-4H3
InChIKeyIKWCDEBJMKRTJD-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-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-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
N-[[2-ethyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368564
N-[[4-(2-methylpropyl)-2-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368491
N-[[2-(cyclopentylsulfanylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368770
N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440618
N-[[2-[(2-methylphenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368742
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82434587
N-[[4-tert-butyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362510
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
1-[2-(cyclohexylsulfanylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368209

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114368777) is N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CSC)nc1CC(C)C.
What is the InChIKey of N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is IKWCDEBJMKRTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S2/c1-5-13-7-11-10(6-9(2)3)14-12(16-11)8-15-4/h9,13H,5-8H2,1-4H3.
What are the key properties of N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 258.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114368777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).