8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C12H14N4O3S — CID 47445313

IUPAC8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1nc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cs1
InChIInChI=1S/C12H14N4O3S/c1-7-13-8(6-20-7)9(17)16-4-2-12(3-5-16)10(18)14-11(19)15-12/h6H,2-5H2,1H3,(H2,14,15,18,19)
InChIKeyDXOKDUNARFMTFW-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.27
Rot. Bonds1

About 8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 47445313) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID47445313
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1nc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cs1
InChIInChI=1S/C12H14N4O3S/c1-7-13-8(6-20-7)9(17)16-4-2-12(3-5-16)10(18)14-11(19)15-12/h6H,2-5H2,1H3,(H2,14,15,18,19)
InChIKeyDXOKDUNARFMTFW-UHFFFAOYSA-N
XLogP0.27
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 91942252
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47138301
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
2-methyl-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98895841
8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79164760
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110645973
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009
8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131686788
(2-methyl-1,3-thiazol-4-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;hydrochloride
CID 67291637
7-(2-methyl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137212879

Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 47445313) is 8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1nc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cs1.
What is the InChIKey of 8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is DXOKDUNARFMTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-7-13-8(6-20-7)9(17)16-4-2-12(3-5-16)10(18)14-11(19)15-12/h6H,2-5H2,1H3,(H2,14,15,18,19).
What are the key properties of 8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 294.34 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 47445313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).