[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone

C20H29N5OS — CID 146069095

IUPAC[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone
SMILESCCCn1cnnc1C1CN(C)CC12CCN(C(=O)c1sccc1C)CC2
InChIInChI=1S/C20H29N5OS/c1-4-8-25-14-21-22-18(25)16-12-23(3)13-20(16)6-9-24(10-7-20)19(26)17-15(2)5-11-27-17/h5,11,14,16H,4,6-10,12-13H2,1-3H3
InChIKeyFSFQEHDOTNFXHI-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.01
Rot. Bonds4

About [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone

[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 146069095) has the molecular formula C20H29N5OS and a molecular weight of 387.55 g/mol. Its IUPAC name is [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID146069095
Molecular FormulaC20H29N5OS
Molecular Weight387.55 g/mol
Exact Mass387.21
IUPAC Name[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone
SMILESCCCn1cnnc1C1CN(C)CC12CCN(C(=O)c1sccc1C)CC2
InChIInChI=1S/C20H29N5OS/c1-4-8-25-14-21-22-18(25)16-12-23(3)13-20(16)6-9-24(10-7-20)19(26)17-15(2)5-11-27-17/h5,11,14,16H,4,6-10,12-13H2,1-3H3
InChIKeyFSFQEHDOTNFXHI-UHFFFAOYSA-N
XLogP3.01
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone
CID 146069123
(5-fluoro-2-pyridinyl)-[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 146069114
2-methyl-N-propan-2-yl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 146069117
2-methyl-N-(3-methylbutyl)-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 146069126
8-(2,4-difluorophenyl)sulfonyl-2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane
CID 146069106
[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone
CID 129476463
(3-methylimidazol-4-yl)-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 155882242
1-[4-[8-(4-propyl-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octane-6-carbonyl]piperidin-1-yl]ethanone
CID 155882424
6-(3-ethylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175481
3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146685
[4-(methoxymethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone
CID 133140802
1-[4-(4-ethyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-(2-methylphenyl)ethanone
CID 146068143

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone (CID 146069095) is [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone is CCCn1cnnc1C1CN(C)CC12CCN(C(=O)c1sccc1C)CC2.
What is the InChIKey of [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is FSFQEHDOTNFXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5OS/c1-4-8-25-14-21-22-18(25)16-12-23(3)13-20(16)6-9-24(10-7-20)19(26)17-15(2)5-11-27-17/h5,11,14,16H,4,6-10,12-13H2,1-3H3.
What are the key properties of [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone?
[2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 387.55 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 146069095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).