2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine

C13H24N4S — CID 82515228

IUPAC2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine
SMILESCN1CCN(CCc2nc(C(C)(C)N)cs2)CC1
InChIInChI=1S/C13H24N4S/c1-13(2,14)11-10-18-12(15-11)4-5-17-8-6-16(3)7-9-17/h10H,4-9,14H2,1-3H3
InChIKeyZWPZDAIKNCBOGN-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.13
Rot. Bonds4

About 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine

2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 82515228) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine
PubChem CID82515228
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine
SMILESCN1CCN(CCc2nc(C(C)(C)N)cs2)CC1
InChIInChI=1S/C13H24N4S/c1-13(2,14)11-10-18-12(15-11)4-5-17-8-6-16(3)7-9-17/h10H,4-9,14H2,1-3H3
InChIKeyZWPZDAIKNCBOGN-UHFFFAOYSA-N
XLogP1.13
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine (CID 82515228) is 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine is CN1CCN(CCc2nc(C(C)(C)N)cs2)CC1.
What is the InChIKey of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is ZWPZDAIKNCBOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-13(2,14)11-10-18-12(15-11)4-5-17-8-6-16(3)7-9-17/h10H,4-9,14H2,1-3H3.
What are the key properties of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 268.43 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 82515228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).