(4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone

C10H15N3OS — CID 91306632

IUPAC(4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2nccs2)CC1
InChIInChI=1S/C10H15N3OS/c1-2-12-4-6-13(7-5-12)10(14)9-11-3-8-15-9/h3,8H,2,4-7H2,1H3
InChIKeyDZRSXWWKPURNNH-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.92
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone

(4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone (PubChem CID 91306632) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
PubChem CID91306632
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name(4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
SMILESCCN1CCN(C(=O)c2nccs2)CC1
InChIInChI=1S/C10H15N3OS/c1-2-12-4-6-13(7-5-12)10(14)9-11-3-8-15-9/h3,8H,2,4-7H2,1H3
InChIKeyDZRSXWWKPURNNH-UHFFFAOYSA-N
XLogP0.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone (CID 91306632) is (4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone is CCN1CCN(C(=O)c2nccs2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone?
The InChIKey is DZRSXWWKPURNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-12-4-6-13(7-5-12)10(14)9-11-3-8-15-9/h3,8H,2,4-7H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone?
(4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone has a molecular weight of 225.32 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 91306632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).