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

C10H18N2OS2 — CID 82440618

IUPACN-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CSC)nc1COC
InChIInChI=1S/C10H18N2OS2/c1-4-11-5-9-8(6-13-2)12-10(15-9)7-14-3/h11H,4-7H2,1-3H3
InChIKeyDJKGQDSUEJWBGF-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.26
Rot. Bonds7

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

N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82440618) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82440618
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC NameN-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(CSC)nc1COC
InChIInChI=1S/C10H18N2OS2/c1-4-11-5-9-8(6-13-2)12-10(15-9)7-14-3/h11H,4-7H2,1-3H3
InChIKeyDJKGQDSUEJWBGF-UHFFFAOYSA-N
XLogP2.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368777
N-[[2-[(2-fluorophenyl)sulfanylmethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366141
N-[[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 82440660
1-[2-(ethylsulfanylmethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440651
N-[[4-(methoxymethyl)-2-[(2-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366259
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428338
N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366170
N-[[2-[(4-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440542
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837
N-[[2-[(2-fluorophenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82440531
N-[[4-(methoxymethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82441505

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 82440618) is N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(CSC)nc1COC.
What is the InChIKey of N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is DJKGQDSUEJWBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-4-11-5-9-8(6-13-2)12-10(15-9)7-14-3/h11H,4-7H2,1-3H3.
What are the key properties of N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82440618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).