2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C11H18N4OS — CID 66573025

IUPAC2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)N1CCN(C)CC1
InChIInChI=1S/C11H18N4OS/c1-9(15-6-4-14(2)5-7-15)10(16)13-11-12-3-8-17-11/h3,8-9H,4-7H2,1-2H3,(H,12,13,16)
InChIKeyPFTHQVAHLBSSMF-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.72
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide

2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 66573025) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID66573025
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C(=O)Nc1nccs1)N1CCN(C)CC1
InChIInChI=1S/C11H18N4OS/c1-9(15-6-4-14(2)5-7-15)10(16)13-11-12-3-8-17-11/h3,8-9H,4-7H2,1-2H3,(H,12,13,16)
InChIKeyPFTHQVAHLBSSMF-UHFFFAOYSA-N
XLogP0.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 66573025) is 2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide is CC(C(=O)Nc1nccs1)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PFTHQVAHLBSSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-9(15-6-4-14(2)5-7-15)10(16)13-11-12-3-8-17-11/h3,8-9H,4-7H2,1-2H3,(H,12,13,16).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 254.36 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 66573025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).