[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone

C14H23N3OS — CID 82429518

IUPAC[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
SMILESCCc1nc(CC(C)C)sc1C(=O)N1CCNCC1
InChIInChI=1S/C14H23N3OS/c1-4-11-13(19-12(16-11)9-10(2)3)14(18)17-7-5-15-6-8-17/h10,15H,4-9H2,1-3H3
InChIKeyHLAPYEZTEOPZLO-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.95
Rot. Bonds4

About [4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone

[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone (PubChem CID 82429518) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is [4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
PubChem CID82429518
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
SMILESCCc1nc(CC(C)C)sc1C(=O)N1CCNCC1
InChIInChI=1S/C14H23N3OS/c1-4-11-13(19-12(16-11)9-10(2)3)14(18)17-7-5-15-6-8-17/h10,15H,4-9H2,1-3H3
InChIKeyHLAPYEZTEOPZLO-UHFFFAOYSA-N
XLogP1.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone (CID 82429518) is [4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone is CCc1nc(CC(C)C)sc1C(=O)N1CCNCC1.
What is the InChIKey of [4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
The InChIKey is HLAPYEZTEOPZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-11-13(19-12(16-11)9-10(2)3)14(18)17-7-5-15-6-8-17/h10,15H,4-9H2,1-3H3.
What are the key properties of [4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone?
[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone has a molecular weight of 281.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82429518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).