N-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

C25H28N6O3S — CID 4204487

IUPACN-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC2(CC1)CCN(C(=O)c1sc(-c3cnccn3)nc1C)C2
InChIInChI=1S/C25H28N6O3S/c1-17-21(35-22(28-17)19-15-26-10-11-27-19)23(32)31-14-9-25(16-31)7-12-30(13-8-25)24(33)29-18-5-3-4-6-20(18)34-2/h3-6,10-11,15H,7-9,12-14,16H2,1-2H3,(H,29,33)
InChIKeyHTWXVCGDJHUBQG-UHFFFAOYSA-N
MW492.61 g/mol
LogP4.08
Rot. Bonds4

About N-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

N-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 4204487) has the molecular formula C25H28N6O3S and a molecular weight of 492.61 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID4204487
Molecular FormulaC25H28N6O3S
Molecular Weight492.61 g/mol
Exact Mass492.19
IUPAC NameN-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC2(CC1)CCN(C(=O)c1sc(-c3cnccn3)nc1C)C2
InChIInChI=1S/C25H28N6O3S/c1-17-21(35-22(28-17)19-15-26-10-11-27-19)23(32)31-14-9-25(16-31)7-12-30(13-8-25)24(33)29-18-5-3-4-6-20(18)34-2/h3-6,10-11,15H,7-9,12-14,16H2,1-2H3,(H,29,33)
InChIKeyHTWXVCGDJHUBQG-UHFFFAOYSA-N
XLogP4.08
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,3-dihydro-1H-inden-2-yl)-1-[2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 3548432
(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
N-(3,5-dimethylphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carbothioamide
CID 3722679
2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 4204758
N-(2-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 5019002
2-[3-(carbamothioylamino)benzoyl]-N-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 74229495
N-(2-methoxyphenyl)-2-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 74224172
N-(2-methoxyphenyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide
CID 90559095
but-2-ynyl 8-[(2-methoxyphenyl)carbamoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 3863013
[2-(2-methoxyanilino)-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137272
1-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 16897842
1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123407

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 4204487) is N-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is COc1ccccc1NC(=O)N1CCC2(CC1)CCN(C(=O)c1sc(-c3cnccn3)nc1C)C2.
What is the InChIKey of N-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is HTWXVCGDJHUBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3S/c1-17-21(35-22(28-17)19-15-26-10-11-27-19)23(32)31-14-9-25(16-31)7-12-30(13-8-25)24(33)29-18-5-3-4-6-20(18)34-2/h3-6,10-11,15H,7-9,12-14,16H2,1-2H3,(H,29,33).
What are the key properties of N-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
N-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 492.61 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 4204487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).