N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C21H20N6O4S — CID 142524386

IUPACN-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC4(CC3)NC(=O)NC4=O)nc12
InChIInChI=1S/C21H20N6O4S/c1-31-16-14-15(13(11-22-16)12-5-3-2-4-6-12)32-19(23-14)25-20(30)27-9-7-21(8-10-27)17(28)24-18(29)26-21/h2-6,11H,7-10H2,1H3,(H,23,25,30)(H2,24,26,28,29)
InChIKeyWAXJFKLSJAFCKD-UHFFFAOYSA-N
MW452.50 g/mol
LogP2.57
Rot. Bonds3

About N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 142524386) has the molecular formula C21H20N6O4S and a molecular weight of 452.50 g/mol. Its IUPAC name is N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID142524386
Molecular FormulaC21H20N6O4S
Molecular Weight452.50 g/mol
Exact Mass452.13
IUPAC NameN-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC4(CC3)NC(=O)NC4=O)nc12
InChIInChI=1S/C21H20N6O4S/c1-31-16-14-15(13(11-22-16)12-5-3-2-4-6-12)32-19(23-14)25-20(30)27-9-7-21(8-10-27)17(28)24-18(29)26-21/h2-6,11H,7-10H2,1H3,(H,23,25,30)(H2,24,26,28,29)
InChIKeyWAXJFKLSJAFCKD-UHFFFAOYSA-N
XLogP2.57
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide with MolForge

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Related Compounds

4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 142524362
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 159454171
(4S)-4-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azaspiro[4.5]decane-8-carboxamide
CID 142524403
3-amino-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 137474866
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methylpropanamide
CID 146652560
N-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738669
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 10155956
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462534
tert-butyl N-[3-[4-methoxy-2-(8-oxa-2-azaspiro[4.5]decane-2-carbonylamino)-[1,3]thiazolo[4,5-c]pyridin-7-yl]phenyl]carbamate
CID 154659404
(5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 158377073
4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462623
N-[4-methoxy-7-[3-(1,3-oxazol-4-ylmethylamino)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738654

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 142524386) is N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide is COc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC4(CC3)NC(=O)NC4=O)nc12.
What is the InChIKey of N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is WAXJFKLSJAFCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4S/c1-31-16-14-15(13(11-22-16)12-5-3-2-4-6-12)32-19(23-14)25-20(30)27-9-7-21(8-10-27)17(28)24-18(29)26-21/h2-6,11H,7-10H2,1H3,(H,23,25,30)(H2,24,26,28,29).
What are the key properties of N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 452.50 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 142524386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).