4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one

C14H23N3OS — CID 106383604

IUPAC4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESCCC1CNC(C)(C2CC2)CN1Cc1csc(=O)[nH]1
InChIInChI=1S/C14H23N3OS/c1-3-12-6-15-14(2,10-4-5-10)9-17(12)7-11-8-19-13(18)16-11/h8,10,12,15H,3-7,9H2,1-2H3,(H,16,18)
InChIKeyPFJNHNCYENJILG-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.79
Rot. Bonds4

About 4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one

4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106383604) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
PubChem CID106383604
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESCCC1CNC(C)(C2CC2)CN1Cc1csc(=O)[nH]1
InChIInChI=1S/C14H23N3OS/c1-3-12-6-15-14(2,10-4-5-10)9-17(12)7-11-8-19-13(18)16-11/h8,10,12,15H,3-7,9H2,1-2H3,(H,16,18)
InChIKeyPFJNHNCYENJILG-UHFFFAOYSA-N
XLogP1.79
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one (CID 106383604) is 4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one is CCC1CNC(C)(C2CC2)CN1Cc1csc(=O)[nH]1.
What is the InChIKey of 4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is PFJNHNCYENJILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-12-6-15-14(2,10-4-5-10)9-17(12)7-11-8-19-13(18)16-11/h8,10,12,15H,3-7,9H2,1-2H3,(H,16,18).
What are the key properties of 4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 281.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106383604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).