N-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide

C15H18N6O3S2 — CID 166285472

IUPACN-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide
SMILESO=C(N=S1(=O)CCC2(CC1)CN(c1ncccn1)CCO2)c1cnns1
InChIInChI=1S/C15H18N6O3S2/c22-13(12-10-18-20-25-12)19-26(23)8-2-15(3-9-26)11-21(6-7-24-15)14-16-4-1-5-17-14/h1,4-5,10H,2-3,6-9,11H2
InChIKeyNEPRCMPXUDJDKA-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.01
Rot. Bonds2

About N-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide

N-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide (PubChem CID 166285472) has the molecular formula C15H18N6O3S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide
PubChem CID166285472
Molecular FormulaC15H18N6O3S2
Molecular Weight394.48 g/mol
Exact Mass394.09
IUPAC NameN-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide
SMILESO=C(N=S1(=O)CCC2(CC1)CN(c1ncccn1)CCO2)c1cnns1
InChIInChI=1S/C15H18N6O3S2/c22-13(12-10-18-20-25-12)19-26(23)8-2-15(3-9-26)11-21(6-7-24-15)14-16-4-1-5-17-14/h1,4-5,10H,2-3,6-9,11H2
InChIKeyNEPRCMPXUDJDKA-UHFFFAOYSA-N
XLogP1.01
TPSA110.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

cyclopent-3-en-1-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97451000
N-[4-(4-cyano-3-methyl-1,2-thiazol-5-yl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]-2-methylpropanamide
CID 167814155
(6R)-4-(5-methylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396480
6-pyrimidin-2-yl-1-oxa-6-azaspiro[3.3]heptane
CID 130685819
(9-oxo-9-phenylimino-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)-(1,3-thiazol-5-yl)methanone
CID 146114622
(6S)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97398278
(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone
CID 134074050
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131687867
(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492146
(6S)-8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372435
pyrazin-2-yl-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131662756
N-[4-(2-aminopyrazolo[1,5-a]pyrimidin-5-yl)-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene]acetamide
CID 166285514

Frequently Asked Questions

What is the IUPAC name of N-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide?
The IUPAC name of N-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide (CID 166285472) is N-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide?
The canonical SMILES for N-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide is O=C(N=S1(=O)CCC2(CC1)CN(c1ncccn1)CCO2)c1cnns1.
What is the InChIKey of N-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide?
The InChIKey is NEPRCMPXUDJDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3S2/c22-13(12-10-18-20-25-12)19-26(23)8-2-15(3-9-26)11-21(6-7-24-15)14-16-4-1-5-17-14/h1,4-5,10H,2-3,6-9,11H2.
What are the key properties of N-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide?
N-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-oxo-4-pyrimidin-2-yl-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-9-ylidene)thiadiazole-5-carboxamide is sourced from PubChem (CID 166285472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).