5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine

C11H21N5O2S2 — CID 103383159

IUPAC5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCN1CCN(CCNc2snc(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C11H21N5O2S2/c1-15-5-7-16(8-6-15)4-3-13-11-9(20(2,17)18)10(12)14-19-11/h13H,3-8H2,1-2H3,(H2,12,14)
InChIKeyXMFZLDFDIKTZOL-UHFFFAOYSA-N
MW319.46 g/mol
LogP-0.21
Rot. Bonds5

About 5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine

5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103383159) has the molecular formula C11H21N5O2S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103383159
Molecular FormulaC11H21N5O2S2
Molecular Weight319.46 g/mol
Exact Mass319.11
IUPAC Name5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCN1CCN(CCNc2snc(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C11H21N5O2S2/c1-15-5-7-16(8-6-15)4-3-13-11-9(20(2,17)18)10(12)14-19-11/h13H,3-8H2,1-2H3,(H2,12,14)
InChIKeyXMFZLDFDIKTZOL-UHFFFAOYSA-N
XLogP-0.21
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine 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

5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383777
5-N-[2-(azepan-1-yl)ethyl]-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359429
5-N-(2-methylsulfanylethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103381226
5-N-(2-morpholin-4-ylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103363694
5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382331
5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382745
4-methyl-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 106327709
5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 114102738
4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103378499
5-N-[2-(3-methylphenyl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103379939
3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one
CID 114165304
[2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 103378959

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 103383159) is 5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine is CN1CCN(CCNc2snc(N)c2S(C)(=O)=O)CC1.
What is the InChIKey of 5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is XMFZLDFDIKTZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S2/c1-15-5-7-16(8-6-15)4-3-13-11-9(20(2,17)18)10(12)14-19-11/h13H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 319.46 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103383159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).