(5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C18H20FN5O2S — CID 3234870

IUPAC(5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC[C@@]2(CCCN(C(=O)c3csnn3)C2)C1
InChIInChI=1S/C18H20FN5O2S/c19-13-3-1-4-14(9-13)20-17(26)24-8-6-18(12-24)5-2-7-23(11-18)16(25)15-10-27-22-21-15/h1,3-4,9-10H,2,5-8,11-12H2,(H,20,26)/t18-/m1/s1
InChIKeyOCLGPYDFEHLYOG-GOSISDBHSA-N
MW389.46 g/mol
LogP2.84
Rot. Bonds2

About (5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3234870) has the molecular formula C18H20FN5O2S and a molecular weight of 389.46 g/mol. Its IUPAC name is (5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3234870
Molecular FormulaC18H20FN5O2S
Molecular Weight389.46 g/mol
Exact Mass389.13
IUPAC Name(5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC[C@@]2(CCCN(C(=O)c3csnn3)C2)C1
InChIInChI=1S/C18H20FN5O2S/c19-13-3-1-4-14(9-13)20-17(26)24-8-6-18(12-24)5-2-7-23(11-18)16(25)15-10-27-22-21-15/h1,3-4,9-10H,2,5-8,11-12H2,(H,20,26)/t18-/m1/s1
InChIKeyOCLGPYDFEHLYOG-GOSISDBHSA-N
XLogP2.84
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3234870) is (5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is O=C(Nc1cccc(F)c1)N1CC[C@@]2(CCCN(C(=O)c3csnn3)C2)C1.
What is the InChIKey of (5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is OCLGPYDFEHLYOG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20FN5O2S/c19-13-3-1-4-14(9-13)20-17(26)24-8-6-18(12-24)5-2-7-23(11-18)16(25)15-10-27-22-21-15/h1,3-4,9-10H,2,5-8,11-12H2,(H,20,26)/t18-/m1/s1.
What are the key properties of (5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(3-fluorophenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3234870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).