1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone

C15H24N2O2S2 — CID 99696059

IUPAC1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
SMILESCc1[nH]c(=S)sc1CC(=O)N1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O2S2/c1-10-12(21-14(20)16-10)9-13(18)17-7-5-11(6-8-17)19-15(2,3)4/h11H,5-9H2,1-4H3,(H,16,20)
InChIKeyGNSCVZCOLBMHAQ-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.46
Rot. Bonds3

About 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone

1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone (PubChem CID 99696059) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
PubChem CID99696059
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
SMILESCc1[nH]c(=S)sc1CC(=O)N1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C15H24N2O2S2/c1-10-12(21-14(20)16-10)9-13(18)17-7-5-11(6-8-17)19-15(2,3)4/h11H,5-9H2,1-4H3,(H,16,20)
InChIKeyGNSCVZCOLBMHAQ-UHFFFAOYSA-N
XLogP3.46
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone (CID 99696059) is 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone is Cc1[nH]c(=S)sc1CC(=O)N1CCC(OC(C)(C)C)CC1.
What is the InChIKey of 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone?
The InChIKey is GNSCVZCOLBMHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-10-12(21-14(20)16-10)9-13(18)17-7-5-11(6-8-17)19-15(2,3)4/h11H,5-9H2,1-4H3,(H,16,20).
What are the key properties of 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone?
1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone has a molecular weight of 328.50 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 99696059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).