2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone

C14H15N3O2S2 — CID 138034147

IUPAC2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cscn1)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C14H15N3O2S2/c18-13(7-12-9-21-10-15-12)16-2-4-17(5-3-16)14(19)11-1-6-20-8-11/h1,6,8-10H,2-5,7H2
InChIKeyQDCUWCLSLHJDER-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.73
Rot. Bonds3

About 2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone

2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 138034147) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID138034147
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cscn1)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C14H15N3O2S2/c18-13(7-12-9-21-10-15-12)16-2-4-17(5-3-16)14(19)11-1-6-20-8-11/h1,6,8-10H,2-5,7H2
InChIKeyQDCUWCLSLHJDER-UHFFFAOYSA-N
XLogP1.73
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone (CID 138034147) is 2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1cscn1)N1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of 2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is QDCUWCLSLHJDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c18-13(7-12-9-21-10-15-12)16-2-4-17(5-3-16)14(19)11-1-6-20-8-11/h1,6,8-10H,2-5,7H2.
What are the key properties of 2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone?
2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 321.43 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 138034147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).