N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide

C13H15N5O2S — CID 175643647

IUPACN-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide
SMILESO=C(NC1CCC(Sc2ncccn2)CC1)c1cnon1
InChIInChI=1S/C13H15N5O2S/c19-12(11-8-16-20-18-11)17-9-2-4-10(5-3-9)21-13-14-6-1-7-15-13/h1,6-10H,2-5H2,(H,17,19)
InChIKeyNZQDEKNGHPXKMX-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.69
Rot. Bonds4

About N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide

N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 175643647) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID175643647
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide
SMILESO=C(NC1CCC(Sc2ncccn2)CC1)c1cnon1
InChIInChI=1S/C13H15N5O2S/c19-12(11-8-16-20-18-11)17-9-2-4-10(5-3-9)21-13-14-6-1-7-15-13/h1,6-10H,2-5H2,(H,17,19)
InChIKeyNZQDEKNGHPXKMX-UHFFFAOYSA-N
XLogP1.69
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 126997753
5-(methoxymethyl)-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)furan-2-carboxamide
CID 175640680
4-oxo-N-(4-pyrimidin-2-ylsulfanylcyclohexyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 175643422
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109274695
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-(4-methylcyclohexyl)isoquinoline-3-carboxamide
CID 22136395
N-cyclopropyl-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109271555
5-amino-N-cyclooctylpyrazine-2-carboxamide
CID 113381836
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109182962

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide (CID 175643647) is N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide is O=C(NC1CCC(Sc2ncccn2)CC1)c1cnon1.
What is the InChIKey of N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is NZQDEKNGHPXKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c19-12(11-8-16-20-18-11)17-9-2-4-10(5-3-9)21-13-14-6-1-7-15-13/h1,6-10H,2-5H2,(H,17,19).
What are the key properties of N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide?
N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-ylsulfanylcyclohexyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 175643647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).