1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine

C13H24N4S — CID 115092014

IUPAC1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(CCN2CCN(C)CC2)s1
InChIInChI=1S/C13H24N4S/c1-11(14)9-12-10-15-13(18-12)3-4-17-7-5-16(2)6-8-17/h10-11H,3-9,14H2,1-2H3
InChIKeyKIVIMBMXGSFDNB-UHFFFAOYSA-N
MW268.43 g/mol
LogP0.82
Rot. Bonds5

About 1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine

1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 115092014) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
PubChem CID115092014
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(CCN2CCN(C)CC2)s1
InChIInChI=1S/C13H24N4S/c1-11(14)9-12-10-15-13(18-12)3-4-17-7-5-16(2)6-8-17/h10-11H,3-9,14H2,1-2H3
InChIKeyKIVIMBMXGSFDNB-UHFFFAOYSA-N
XLogP0.82
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine (CID 115092014) is 1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine is CC(N)Cc1cnc(CCN2CCN(C)CC2)s1.
What is the InChIKey of 1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is KIVIMBMXGSFDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-11(14)9-12-10-15-13(18-12)3-4-17-7-5-16(2)6-8-17/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine?
1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 268.43 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 115092014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).