N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine

C12H23N5S — CID 65271465

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCN2CCN(C)CC2)n1
InChIInChI=1S/C12H23N5S/c1-3-4-11-14-12(18-15-11)13-5-6-17-9-7-16(2)8-10-17/h3-10H2,1-2H3,(H,13,14,15)
InChIKeyMQXXJSVDKBIAFL-UHFFFAOYSA-N
MW269.42 g/mol
LogP1.15
Rot. Bonds6

About N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine

N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271465) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65271465
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCN2CCN(C)CC2)n1
InChIInChI=1S/C12H23N5S/c1-3-4-11-14-12(18-15-11)13-5-6-17-9-7-16(2)8-10-17/h3-10H2,1-2H3,(H,13,14,15)
InChIKeyMQXXJSVDKBIAFL-UHFFFAOYSA-N
XLogP1.15
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine (CID 65271465) is N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCCN2CCN(C)CC2)n1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is MQXXJSVDKBIAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-3-4-11-14-12(18-15-11)13-5-6-17-9-7-16(2)8-10-17/h3-10H2,1-2H3,(H,13,14,15).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 269.42 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).