[2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol

C12H21N3OS2 — CID 82441933

IUPAC[2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol
SMILESCCN1CCN(c2nc(COC)c(CS)s2)CC1
InChIInChI=1S/C12H21N3OS2/c1-3-14-4-6-15(7-5-14)12-13-10(8-16-2)11(9-17)18-12/h17H,3-9H2,1-2H3
InChIKeyFLGGNOXYTJZXHO-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.86
Rot. Bonds5

About [2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol

[2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol (PubChem CID 82441933) has the molecular formula C12H21N3OS2 and a molecular weight of 287.45 g/mol. Its IUPAC name is [2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol.

Molecular Properties

Compound Name[2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol
PubChem CID82441933
Molecular FormulaC12H21N3OS2
Molecular Weight287.45 g/mol
Exact Mass287.11
IUPAC Name[2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol
SMILESCCN1CCN(c2nc(COC)c(CS)s2)CC1
InChIInChI=1S/C12H21N3OS2/c1-3-14-4-6-15(7-5-14)12-13-10(8-16-2)11(9-17)18-12/h17H,3-9H2,1-2H3
InChIKeyFLGGNOXYTJZXHO-UHFFFAOYSA-N
XLogP1.86
TPSA28.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol 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-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441928
[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510269
[4-(methoxymethyl)-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82441582
N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62764109
N-[[4-(methoxymethyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366314
2-[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 82441915
N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107509532
N-[[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82441943
N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107509491
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 107510302
N-[[4-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82441911
1-[2-(4-cyclopropylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107510256

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol?
The IUPAC name of [2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol (CID 82441933) is [2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol.
What is the SMILES notation for [2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol?
The canonical SMILES for [2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol is CCN1CCN(c2nc(COC)c(CS)s2)CC1.
What is the InChIKey of [2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol?
The InChIKey is FLGGNOXYTJZXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS2/c1-3-14-4-6-15(7-5-14)12-13-10(8-16-2)11(9-17)18-12/h17H,3-9H2,1-2H3.
What are the key properties of [2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol?
[2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol has a molecular weight of 287.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylpiperazin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanethiol is sourced from PubChem (CID 82441933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).