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

C13H25N5S — CID 103359440

IUPAC5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine
SMILESCC(C)C(CNc1cc(N)ns1)N1CCN(C)CC1
InChIInChI=1S/C13H25N5S/c1-10(2)11(18-6-4-17(3)5-7-18)9-15-13-8-12(14)16-19-13/h8,10-11,15H,4-7,9H2,1-3H3,(H2,14,16)
InChIKeyGWYMXJUZQOACAZ-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.41
Rot. Bonds5

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

5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359440) has the molecular formula C13H25N5S and a molecular weight of 283.44 g/mol. Its IUPAC name is 5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine
PubChem CID103359440
Molecular FormulaC13H25N5S
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC Name5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine
SMILESCC(C)C(CNc1cc(N)ns1)N1CCN(C)CC1
InChIInChI=1S/C13H25N5S/c1-10(2)11(18-6-4-17(3)5-7-18)9-15-13-8-12(14)16-19-13/h8,10-11,15H,4-7,9H2,1-3H3,(H2,14,16)
InChIKeyGWYMXJUZQOACAZ-UHFFFAOYSA-N
XLogP1.41
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359189
5-N-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359195
5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359232
5-N-[2-(dimethylamino)propyl]-1,2-thiazole-3,5-diamine
CID 103359279
5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103359312
5-N-(1-ethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103359353
5-N-(2,2-dimethylpropyl)-1,2-thiazole-3,5-diamine
CID 103359361
5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103359379
5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359396
5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine
CID 103359418
5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103359427
5-N-[2-(azepan-1-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103359434

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine (CID 103359440) is 5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine is CC(C)C(CNc1cc(N)ns1)N1CCN(C)CC1.
What is the InChIKey of 5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine?
The InChIKey is GWYMXJUZQOACAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5S/c1-10(2)11(18-6-4-17(3)5-7-18)9-15-13-8-12(14)16-19-13/h8,10-11,15H,4-7,9H2,1-3H3,(H2,14,16).
What are the key properties of 5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine?
5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine has a molecular weight of 283.44 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).