2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

C15H16N4O2S — CID 45487374

IUPAC2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCN(C(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C15H16N4O2S/c16-13(20)12-10-17-15(22-12)19-8-6-18(7-9-19)14(21)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,16,20)
InChIKeyNYHCFTYRFCRXPO-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.20
Rot. Bonds3

About 2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide

2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 45487374) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID45487374
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCN(C(=O)c3ccccc3)CC2)s1
InChIInChI=1S/C15H16N4O2S/c16-13(20)12-10-17-15(22-12)19-8-6-18(7-9-19)14(21)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,16,20)
InChIKeyNYHCFTYRFCRXPO-UHFFFAOYSA-N
XLogP1.20
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide (CID 45487374) is 2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(N2CCN(C(=O)c3ccccc3)CC2)s1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is NYHCFTYRFCRXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c16-13(20)12-10-17-15(22-12)19-8-6-18(7-9-19)14(21)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,16,20).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide?
2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45487374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).