N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

C20H23N3O6S — CID 16915195

IUPACN-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(C(=O)N3CCC4(CC3)OCCO4)cs2)c1
InChIInChI=1S/C20H23N3O6S/c1-26-14-9-13(10-15(11-14)27-2)17(24)22-19-21-16(12-30-19)18(25)23-5-3-20(4-6-23)28-7-8-29-20/h9-12H,3-8H2,1-2H3,(H,21,22,24)
InChIKeyARXXCZPXWGBPQI-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.39
Rot. Bonds5

About N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide (PubChem CID 16915195) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
PubChem CID16915195
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC NameN-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(C(=O)N3CCC4(CC3)OCCO4)cs2)c1
InChIInChI=1S/C20H23N3O6S/c1-26-14-9-13(10-15(11-14)27-2)17(24)22-19-21-16(12-30-19)18(25)23-5-3-20(4-6-23)28-7-8-29-20/h9-12H,3-8H2,1-2H3,(H,21,22,24)
InChIKeyARXXCZPXWGBPQI-UHFFFAOYSA-N
XLogP2.39
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide (CID 16915195) is N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2nc(C(=O)N3CCC4(CC3)OCCO4)cs2)c1.
What is the InChIKey of N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is ARXXCZPXWGBPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-26-14-9-13(10-15(11-14)27-2)17(24)22-19-21-16(12-30-19)18(25)23-5-3-20(4-6-23)28-7-8-29-20/h9-12H,3-8H2,1-2H3,(H,21,22,24).
What are the key properties of N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 433.49 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 16915195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).