[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol

C11H19N3S2 — CID 82425050

IUPAC[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol
SMILESCN1CCN(CCc2ncc(CS)s2)CC1
InChIInChI=1S/C11H19N3S2/c1-13-4-6-14(7-5-13)3-2-11-12-8-10(9-15)16-11/h8,15H,2-7,9H2,1H3
InChIKeyOFOQGZOWZGYSCP-UHFFFAOYSA-N
MW257.43 g/mol
LogP1.36
Rot. Bonds4

About [2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol

[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol (PubChem CID 82425050) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is [2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol.

Molecular Properties

Compound Name[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol
PubChem CID82425050
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC Name[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol
SMILESCN1CCN(CCc2ncc(CS)s2)CC1
InChIInChI=1S/C11H19N3S2/c1-13-4-6-14(7-5-13)3-2-11-12-8-10(9-15)16-11/h8,15H,2-7,9H2,1H3
InChIKeyOFOQGZOWZGYSCP-UHFFFAOYSA-N
XLogP1.36
TPSA19.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115092014
N-[[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82425037
2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82425036
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82425052
[2-(2-piperidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine
CID 115092051
(E)-3-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82425056
[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
CID 82191369
5-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82425053
2-[2-[2-(azepan-1-yl)ethyl]-1,3-thiazol-5-yl]acetonitrile
CID 82425110
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 54883757
5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 82058210
2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82425086

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol?
The IUPAC name of [2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol (CID 82425050) is [2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol.
What is the SMILES notation for [2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol?
The canonical SMILES for [2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol is CN1CCN(CCc2ncc(CS)s2)CC1.
What is the InChIKey of [2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol?
The InChIKey is OFOQGZOWZGYSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-13-4-6-14(7-5-13)3-2-11-12-8-10(9-15)16-11/h8,15H,2-7,9H2,1H3.
What are the key properties of [2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol?
[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol has a molecular weight of 257.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methanethiol is sourced from PubChem (CID 82425050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).