N-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane

C20H24N4O3S2 — CID 165051560

IUPACN-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane
SMILESC1CC2(CCOCC2)CN1.COc1ncc(-c2cccs2)c2sc(NC=O)nc12
InChIInChI=1S/C12H9N3O2S2.C8H15NO/c1-17-11-9-10(19-12(15-9)14-6-16)7(5-13-11)8-3-2-4-18-8;1-4-9-7-8(1)2-5-10-6-3-8/h2-6H,1H3,(H,14,15,16);9H,1-7H2
InChIKeyPSXIQNYXJPVCHD-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.77
Rot. Bonds4

About N-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane

N-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane (PubChem CID 165051560) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound NameN-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane
PubChem CID165051560
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC NameN-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane
SMILESC1CC2(CCOCC2)CN1.COc1ncc(-c2cccs2)c2sc(NC=O)nc12
InChIInChI=1S/C12H9N3O2S2.C8H15NO/c1-17-11-9-10(19-12(15-9)14-6-16)7(5-13-11)8-3-2-4-18-8;1-4-9-7-8(1)2-5-10-6-3-8/h2-6H,1H3,(H,14,15,16);9H,1-7H2
InChIKeyPSXIQNYXJPVCHD-UHFFFAOYSA-N
XLogP3.77
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of N-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane (CID 165051560) is N-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for N-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for N-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane is C1CC2(CCOCC2)CN1.COc1ncc(-c2cccs2)c2sc(NC=O)nc12.
What is the InChIKey of N-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane?
The InChIKey is PSXIQNYXJPVCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S2.C8H15NO/c1-17-11-9-10(19-12(15-9)14-6-16)7(5-13-11)8-3-2-4-18-8;1-4-9-7-8(1)2-5-10-6-3-8/h2-6H,1H3,(H,14,15,16);9H,1-7H2.
What are the key properties of N-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane?
N-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane has a molecular weight of 432.57 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-7-thiophen-2-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)formamide;8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 165051560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).