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

C10H19N5S — CID 102767758

IUPAC2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine
SMILESCN1CCN(CCNc2ncc(N)s2)CC1
InChIInChI=1S/C10H19N5S/c1-14-4-6-15(7-5-14)3-2-12-10-13-8-9(11)16-10/h8H,2-7,11H2,1H3,(H,12,13)
InChIKeyVDOVMORVUVACFX-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.38
Rot. Bonds4

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

2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine (PubChem CID 102767758) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine
PubChem CID102767758
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine
SMILESCN1CCN(CCNc2ncc(N)s2)CC1
InChIInChI=1S/C10H19N5S/c1-14-4-6-15(7-5-14)3-2-12-10-13-8-9(11)16-10/h8H,2-7,11H2,1H3,(H,12,13)
InChIKeyVDOVMORVUVACFX-UHFFFAOYSA-N
XLogP0.38
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine (CID 102767758) is 2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine is CN1CCN(CCNc2ncc(N)s2)CC1.
What is the InChIKey of 2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine?
The InChIKey is VDOVMORVUVACFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-14-4-6-15(7-5-14)3-2-12-10-13-8-9(11)16-10/h8H,2-7,11H2,1H3,(H,12,13).
What are the key properties of 2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine?
2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine has a molecular weight of 241.36 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102767758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).