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

C18H18FN3O4S — CID 46114229

IUPACN-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESO=C(Nc1nc(C(=O)N2CCC3(CC2)OCCO3)cs1)c1ccccc1F
InChIInChI=1S/C18H18FN3O4S/c19-13-4-2-1-3-12(13)15(23)21-17-20-14(11-27-17)16(24)22-7-5-18(6-8-22)25-9-10-26-18/h1-4,11H,5-10H2,(H,20,21,23)
InChIKeyOLSITFUFMCRPPV-UHFFFAOYSA-N
MW391.42 g/mol
LogP2.51
Rot. Bonds3

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

N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide (PubChem CID 46114229) has the molecular formula C18H18FN3O4S and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
PubChem CID46114229
Molecular FormulaC18H18FN3O4S
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC NameN-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESO=C(Nc1nc(C(=O)N2CCC3(CC2)OCCO3)cs1)c1ccccc1F
InChIInChI=1S/C18H18FN3O4S/c19-13-4-2-1-3-12(13)15(23)21-17-20-14(11-27-17)16(24)22-7-5-18(6-8-22)25-9-10-26-18/h1-4,11H,5-10H2,(H,20,21,23)
InChIKeyOLSITFUFMCRPPV-UHFFFAOYSA-N
XLogP2.51
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide with MolForge

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Related Compounds

2-fluoro-N-[4-(4-methylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114250
2-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114227
N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 16915195
N-[4-(spiro[1,3-benzodioxole-2,3'-pyrrolidine]-1'-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 136543085
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
N,N-diethyl-2-[(2-fluorobenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 46114215
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109098874
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 110694234
2-[(2-fluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16916583
3,5-difluoro-N-[4-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114124
2-[(2-fluorobenzoyl)amino]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46114246
N-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2242080

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]-2-fluorobenzamide?
The IUPAC name of N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide (CID 46114229) is N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide is O=C(Nc1nc(C(=O)N2CCC3(CC2)OCCO3)cs1)c1ccccc1F.
What is the InChIKey of N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The InChIKey is OLSITFUFMCRPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4S/c19-13-4-2-1-3-12(13)15(23)21-17-20-14(11-27-17)16(24)22-7-5-18(6-8-22)25-9-10-26-18/h1-4,11H,5-10H2,(H,20,21,23).
What are the key properties of N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
N-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,3-thiazol-2-yl]-2-fluorobenzamide has a molecular weight of 391.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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]-2-fluorobenzamide is sourced from PubChem (CID 46114229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).