4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine

C17H26N6S — CID 59443429

IUPAC4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(N3CCNCC3)ns2)c(C)c1
InChIInChI=1S/C17H26N6S/c1-4-22(5-2)14-6-7-15(13(3)12-14)19-17-20-16(21-24-17)23-10-8-18-9-11-23/h6-7,12,18H,4-5,8-11H2,1-3H3,(H,19,20,21)
InChIKeySHBBSYPZZVRLTG-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.85
Rot. Bonds6

About 4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine

4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine (PubChem CID 59443429) has the molecular formula C17H26N6S and a molecular weight of 346.50 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine
PubChem CID59443429
Molecular FormulaC17H26N6S
Molecular Weight346.50 g/mol
Exact Mass346.19
IUPAC Name4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(Nc2nc(N3CCNCC3)ns2)c(C)c1
InChIInChI=1S/C17H26N6S/c1-4-22(5-2)14-6-7-15(13(3)12-14)19-17-20-16(21-24-17)23-10-8-18-9-11-23/h6-7,12,18H,4-5,8-11H2,1-3H3,(H,19,20,21)
InChIKeySHBBSYPZZVRLTG-UHFFFAOYSA-N
XLogP2.85
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-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

4-N,4-N-diethyl-2-methyl-1-N-[3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-yl]benzene-1,4-diamine
CID 112946118
4-[4-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914804
4-[4-[4-(diethylamino)-2-methylanilino]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112888796
1-[4-[5-[4-(diethylamino)-2-methylanilino]-1,2,4-triazin-3-yl]piperazin-1-yl]ethanone
CID 112947157
4-N,4-N-diethyl-2-methyl-1-N-[5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-yl]benzene-1,4-diamine
CID 112945940
4-N,4-N-diethyl-2-methyl-1-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzene-1,4-diamine
CID 112856510
2-[4-(diethylamino)-2-methylanilino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779228
3-[4-(diethylamino)-2-methylanilino]-4H-1,2,4-triazin-5-one
CID 136779233
1-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-4-N,4-N-diethyl-2-methylbenzene-1,4-diamine
CID 25158236
azepan-1-yl-[2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidin-4-yl]methanone
CID 109334514
4-N,4-N-diethyl-2-methyl-1-N-(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)benzene-1,4-diamine
CID 23850502
4-N,4-N-diethyl-1-N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-2-methylbenzene-1,4-diamine
CID 112900923

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine (CID 59443429) is 4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine is CCN(CC)c1ccc(Nc2nc(N3CCNCC3)ns2)c(C)c1.
What is the InChIKey of 4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine?
The InChIKey is SHBBSYPZZVRLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6S/c1-4-22(5-2)14-6-7-15(13(3)12-14)19-17-20-16(21-24-17)23-10-8-18-9-11-23/h6-7,12,18H,4-5,8-11H2,1-3H3,(H,19,20,21).
What are the key properties of 4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine?
4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine has a molecular weight of 346.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-methyl-1-N-(3-piperazin-1-yl-1,2,4-thiadiazol-5-yl)benzene-1,4-diamine is sourced from PubChem (CID 59443429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).