2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone

C12H21N5OS — CID 65275715

IUPAC2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
SMILESCC(C)c1nsc(N(C)CC(=O)N2CCNCC2)n1
InChIInChI=1S/C12H21N5OS/c1-9(2)11-14-12(19-15-11)16(3)8-10(18)17-6-4-13-5-7-17/h9,13H,4-8H2,1-3H3
InChIKeyWNALUTINMYHDDF-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.53
Rot. Bonds4

About 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone

2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 65275715) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
PubChem CID65275715
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
SMILESCC(C)c1nsc(N(C)CC(=O)N2CCNCC2)n1
InChIInChI=1S/C12H21N5OS/c1-9(2)11-14-12(19-15-11)16(3)8-10(18)17-6-4-13-5-7-17/h9,13H,4-8H2,1-3H3
InChIKeyWNALUTINMYHDDF-UHFFFAOYSA-N
XLogP0.53
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone 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 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone (CID 65275715) is 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone is CC(C)c1nsc(N(C)CC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is WNALUTINMYHDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-9(2)11-14-12(19-15-11)16(3)8-10(18)17-6-4-13-5-7-17/h9,13H,4-8H2,1-3H3.
What are the key properties of 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 283.40 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 65275715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).