4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one

C16H25N3O2S — CID 138997378

IUPAC4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1C(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C16H25N3O2S/c1-10(2)8-11-13(20)17-6-7-19(11)14(21)12-9-18-15(22-12)16(3,4)5/h9-11H,6-8H2,1-5H3,(H,17,20)
InChIKeyVTAYQZXIFMWMBQ-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.43
Rot. Bonds3

About 4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one

4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one (PubChem CID 138997378) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
PubChem CID138997378
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1C(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C16H25N3O2S/c1-10(2)8-11-13(20)17-6-7-19(11)14(21)12-9-18-15(22-12)16(3,4)5/h9-11H,6-8H2,1-5H3,(H,17,20)
InChIKeyVTAYQZXIFMWMBQ-UHFFFAOYSA-N
XLogP2.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one (CID 138997378) is 4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one is CC(C)CC1C(=O)NCCN1C(=O)c1cnc(C(C)(C)C)s1.
What is the InChIKey of 4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is VTAYQZXIFMWMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-10(2)8-11-13(20)17-6-7-19(11)14(21)12-9-18-15(22-12)16(3,4)5/h9-11H,6-8H2,1-5H3,(H,17,20).
What are the key properties of 4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one?
4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 323.46 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 138997378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).