(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

C21H23N5O3S3 — CID 3710587

IUPAC(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCc1nc(-c2cnccn2)sc1C(=O)N1CCC2(CCN(S(=O)(=O)c3cccs3)CC2)C1
InChIInChI=1S/C21H23N5O3S3/c1-15-18(31-19(24-15)16-13-22-7-8-23-16)20(27)25-9-4-21(14-25)5-10-26(11-6-21)32(28,29)17-3-2-12-30-17/h2-3,7-8,12-13H,4-6,9-11,14H2,1H3
InChIKeyIJZCBPDRGYBTEZ-UHFFFAOYSA-N
MW489.65 g/mol
LogP3.29
Rot. Bonds4

About (4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone

(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (PubChem CID 3710587) has the molecular formula C21H23N5O3S3 and a molecular weight of 489.65 g/mol. Its IUPAC name is (4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
PubChem CID3710587
Molecular FormulaC21H23N5O3S3
Molecular Weight489.65 g/mol
Exact Mass489.10
IUPAC Name(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESCc1nc(-c2cnccn2)sc1C(=O)N1CCC2(CCN(S(=O)(=O)c3cccs3)CC2)C1
InChIInChI=1S/C21H23N5O3S3/c1-15-18(31-19(24-15)16-13-22-7-8-23-16)20(27)25-9-4-21(14-25)5-10-26(11-6-21)32(28,29)17-3-2-12-30-17/h2-3,7-8,12-13H,4-6,9-11,14H2,1H3
InChIKeyIJZCBPDRGYBTEZ-UHFFFAOYSA-N
XLogP3.29
TPSA96.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.65
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of (4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone (CID 3710587) is (4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for (4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for (4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is Cc1nc(-c2cnccn2)sc1C(=O)N1CCC2(CCN(S(=O)(=O)c3cccs3)CC2)C1.
What is the InChIKey of (4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
The InChIKey is IJZCBPDRGYBTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S3/c1-15-18(31-19(24-15)16-13-22-7-8-23-16)20(27)25-9-4-21(14-25)5-10-26(11-6-21)32(28,29)17-3-2-12-30-17/h2-3,7-8,12-13H,4-6,9-11,14H2,1H3.
What are the key properties of (4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone?
(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone has a molecular weight of 489.65 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-(8-thiophen-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 3710587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).