2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C14H18N6O2S2 — CID 1240703

IUPAC2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(CC(=O)Nc2nccs2)CC1)Nc1nccs1
InChIInChI=1S/C14H18N6O2S2/c21-11(17-13-15-1-7-23-13)9-19-3-5-20(6-4-19)10-12(22)18-14-16-2-8-24-14/h1-2,7-8H,3-6,9-10H2,(H,15,17,21)(H,16,18,22)
InChIKeyLIAGXAAXFQJCRT-UHFFFAOYSA-N
MW366.47 g/mol
LogP0.79
Rot. Bonds6

About 2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1240703) has the molecular formula C14H18N6O2S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1240703
Molecular FormulaC14H18N6O2S2
Molecular Weight366.47 g/mol
Exact Mass366.09
IUPAC Name2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(CC(=O)Nc2nccs2)CC1)Nc1nccs1
InChIInChI=1S/C14H18N6O2S2/c21-11(17-13-15-1-7-23-13)9-19-3-5-20(6-4-19)10-12(22)18-14-16-2-8-24-14/h1-2,7-8H,3-6,9-10H2,(H,15,17,21)(H,16,18,22)
InChIKeyLIAGXAAXFQJCRT-UHFFFAOYSA-N
XLogP0.79
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 1240703) is 2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCN(CC(=O)Nc2nccs2)CC1)Nc1nccs1.
What is the InChIKey of 2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LIAGXAAXFQJCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S2/c21-11(17-13-15-1-7-23-13)9-19-3-5-20(6-4-19)10-12(22)18-14-16-2-8-24-14/h1-2,7-8H,3-6,9-10H2,(H,15,17,21)(H,16,18,22).
What are the key properties of 2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 366.47 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1240703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).