3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine

C15H27N5S — CID 65276766

IUPAC3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)C(CNc1nc(C2CC2)ns1)N1CCN(C)CC1
InChIInChI=1S/C15H27N5S/c1-11(2)13(20-8-6-19(3)7-9-20)10-16-15-17-14(18-21-15)12-4-5-12/h11-13H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyQCDVWOPRCHWULP-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.10
Rot. Bonds6

About 3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65276766) has the molecular formula C15H27N5S and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine
PubChem CID65276766
Molecular FormulaC15H27N5S
Molecular Weight309.48 g/mol
Exact Mass309.20
IUPAC Name3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)C(CNc1nc(C2CC2)ns1)N1CCN(C)CC1
InChIInChI=1S/C15H27N5S/c1-11(2)13(20-8-6-19(3)7-9-20)10-16-15-17-14(18-21-15)12-4-5-12/h11-13H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyQCDVWOPRCHWULP-UHFFFAOYSA-N
XLogP2.10
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-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 3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine (CID 65276766) is 3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine is CC(C)C(CNc1nc(C2CC2)ns1)N1CCN(C)CC1.
What is the InChIKey of 3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is QCDVWOPRCHWULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5S/c1-11(2)13(20-8-6-19(3)7-9-20)10-16-15-17-14(18-21-15)12-4-5-12/h11-13H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 309.48 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).