2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide

C15H19FN4O3S — CID 166434440

IUPAC2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCOC12CCN(C(=O)c1csnn1)CC2)C1CC1F
InChIInChI=1S/C15H19FN4O3S/c16-10-7-9(10)13(21)17-12-1-6-23-15(12)2-4-20(5-3-15)14(22)11-8-24-19-18-11/h8-10,12H,1-7H2,(H,17,21)
InChIKeyIGGPVLFWHDFDJR-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.78
Rot. Bonds3

About 2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide

2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide (PubChem CID 166434440) has the molecular formula C15H19FN4O3S and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide
PubChem CID166434440
Molecular FormulaC15H19FN4O3S
Molecular Weight354.41 g/mol
Exact Mass354.12
IUPAC Name2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCOC12CCN(C(=O)c1csnn1)CC2)C1CC1F
InChIInChI=1S/C15H19FN4O3S/c16-10-7-9(10)13(21)17-12-1-6-23-15(12)2-4-20(5-3-15)14(22)11-8-24-19-18-11/h8-10,12H,1-7H2,(H,17,21)
InChIKeyIGGPVLFWHDFDJR-UHFFFAOYSA-N
XLogP0.78
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 131686661
N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
CID 131687042
(2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide
CID 92632665
1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398682
1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112567973
4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 65214766
2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 154781945
N-methyl-1'-(thiadiazole-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 118739062
(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone
CID 134074050
(3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-(thiadiazol-4-yl)methanone
CID 131687649

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide (CID 166434440) is 2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide is O=C(NC1CCOC12CCN(C(=O)c1csnn1)CC2)C1CC1F.
What is the InChIKey of 2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide?
The InChIKey is IGGPVLFWHDFDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3S/c16-10-7-9(10)13(21)17-12-1-6-23-15(12)2-4-20(5-3-15)14(22)11-8-24-19-18-11/h8-10,12H,1-7H2,(H,17,21).
What are the key properties of 2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166434440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).