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

C21H21N5O4S — CID 159454171

IUPACN-(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
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC4(CC3)CNC(=O)O4)nc12
InChIInChI=1S/C21H21N5O4S/c1-29-17-15-16(14(11-22-17)13-5-3-2-4-6-13)31-18(24-15)25-19(27)26-9-7-21(8-10-26)12-23-20(28)30-21/h2-6,11H,7-10,12H2,1H3,(H,23,28)(H,24,25,27)
InChIKeyLTTHISQWISIMRA-UHFFFAOYSA-N
MW439.50 g/mol
LogP3.47
Rot. Bonds3

About 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

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 (PubChem CID 159454171) has the molecular formula C21H21N5O4S and a molecular weight of 439.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID159454171
Molecular FormulaC21H21N5O4S
Molecular Weight439.50 g/mol
Exact Mass439.13
IUPAC NameN-(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
SMILESCOc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC4(CC3)CNC(=O)O4)nc12
InChIInChI=1S/C21H21N5O4S/c1-29-17-15-16(14(11-22-17)13-5-3-2-4-6-13)31-18(24-15)25-19(27)26-9-7-21(8-10-26)12-23-20(28)30-21/h2-6,11H,7-10,12H2,1H3,(H,23,28)(H,24,25,27)
InChIKeyLTTHISQWISIMRA-UHFFFAOYSA-N
XLogP3.47
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ncc(-c2ccccc2)c2sc(NC(=O)N3CCC4(CC3)CNC(=O)O4)nc12.
What is the InChIKey of 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?
The InChIKey is LTTHISQWISIMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4S/c1-29-17-15-16(14(11-22-17)13-5-3-2-4-6-13)31-18(24-15)25-19(27)26-9-7-21(8-10-26)12-23-20(28)30-21/h2-6,11H,7-10,12H2,1H3,(H,23,28)(H,24,25,27).
What are the key properties of 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?
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 has a molecular weight of 439.50 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 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-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 159454171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).