5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine

C11H21N5S — CID 103361725

IUPAC5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1CN(C)CCN1C
InChIInChI=1S/C11H21N5S/c1-8-10(12)14-17-11(8)13-6-9-7-15(2)4-5-16(9)3/h9,13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyVIIVSKOUTDJBIX-UHFFFAOYSA-N
MW255.39 g/mol
LogP0.69
Rot. Bonds3

About 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine

5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103361725) has the molecular formula C11H21N5S and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103361725
Molecular FormulaC11H21N5S
Molecular Weight255.39 g/mol
Exact Mass255.15
IUPAC Name5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1CN(C)CCN1C
InChIInChI=1S/C11H21N5S/c1-8-10(12)14-17-11(8)13-6-9-7-15(2)4-5-16(9)3/h9,13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyVIIVSKOUTDJBIX-UHFFFAOYSA-N
XLogP0.69
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine (CID 103361725) is 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCC1CN(C)CCN1C.
What is the InChIKey of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is VIIVSKOUTDJBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5S/c1-8-10(12)14-17-11(8)13-6-9-7-15(2)4-5-16(9)3/h9,13H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 255.39 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).