2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

C12H21N5O2S — CID 142312092

IUPAC2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCN1CCN(CCNC(=O)CC2SC(N)=NC2=O)CC1
InChIInChI=1S/C12H21N5O2S/c1-16-4-6-17(7-5-16)3-2-14-10(18)8-9-11(19)15-12(13)20-9/h9H,2-8H2,1H3,(H,14,18)(H2,13,15,19)
InChIKeyXPDPRCSPRMBEQS-UHFFFAOYSA-N
MW299.40 g/mol
LogP-1.30
Rot. Bonds5

About 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide (PubChem CID 142312092) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
PubChem CID142312092
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCN1CCN(CCNC(=O)CC2SC(N)=NC2=O)CC1
InChIInChI=1S/C12H21N5O2S/c1-16-4-6-17(7-5-16)3-2-14-10(18)8-9-11(19)15-12(13)20-9/h9H,2-8H2,1H3,(H,14,18)(H2,13,15,19)
InChIKeyXPDPRCSPRMBEQS-UHFFFAOYSA-N
XLogP-1.30
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide (CID 142312092) is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide is CN1CCN(CCNC(=O)CC2SC(N)=NC2=O)CC1.
What is the InChIKey of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is XPDPRCSPRMBEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-16-4-6-17(7-5-16)3-2-14-10(18)8-9-11(19)15-12(13)20-9/h9H,2-8H2,1H3,(H,14,18)(H2,13,15,19).
What are the key properties of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 299.40 g/mol, XLogP of -1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 142312092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).