(8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C19H28N4O2S — CID 143372909

IUPAC(8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCC(C)C1CCC2(CC1)CC(C(=O)N1CCN(c3nccs3)CC1)=NO2
InChIInChI=1S/C19H28N4O2S/c1-14(2)15-3-5-19(6-4-15)13-16(21-25-19)17(24)22-8-10-23(11-9-22)18-20-7-12-26-18/h7,12,14-15H,3-6,8-11,13H2,1-2H3
InChIKeyQICAUPIYKSHGEC-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.15
Rot. Bonds3

About (8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 143372909) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is (8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID143372909
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name(8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCC(C)C1CCC2(CC1)CC(C(=O)N1CCN(c3nccs3)CC1)=NO2
InChIInChI=1S/C19H28N4O2S/c1-14(2)15-3-5-19(6-4-15)13-16(21-25-19)17(24)22-8-10-23(11-9-22)18-20-7-12-26-18/h7,12,14-15H,3-6,8-11,13H2,1-2H3
InChIKeyQICAUPIYKSHGEC-UHFFFAOYSA-N
XLogP3.15
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165477853
(8-tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 11976058
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
(2-propan-2-ylsulfanyl-3-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 47039184
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
[1-(1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 71522599
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide
CID 24645578
(2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 79382749
5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
CID 43414558

Frequently Asked Questions

What is the IUPAC name of (8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 143372909) is (8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is CC(C)C1CCC2(CC1)CC(C(=O)N1CCN(c3nccs3)CC1)=NO2.
What is the InChIKey of (8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is QICAUPIYKSHGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-14(2)15-3-5-19(6-4-15)13-16(21-25-19)17(24)22-8-10-23(11-9-22)18-20-7-12-26-18/h7,12,14-15H,3-6,8-11,13H2,1-2H3.
What are the key properties of (8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 376.53 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-propan-2-yl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 143372909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).