N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide

C10H11N5O2S — CID 91776234

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCc2noc(C)n2)cn1
InChIInChI=1S/C10H11N5O2S/c1-6-14-8(15-17-6)5-11-9(16)7-3-12-10(18-2)13-4-7/h3-4H,5H2,1-2H3,(H,11,16)
InChIKeyPCTSFYCHAMVFIN-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.82
Rot. Bonds4

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 91776234) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID91776234
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCc2noc(C)n2)cn1
InChIInChI=1S/C10H11N5O2S/c1-6-14-8(15-17-6)5-11-9(16)7-3-12-10(18-2)13-4-7/h3-4H,5H2,1-2H3,(H,11,16)
InChIKeyPCTSFYCHAMVFIN-UHFFFAOYSA-N
XLogP0.82
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide (CID 91776234) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NCc2noc(C)n2)cn1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is PCTSFYCHAMVFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-6-14-8(15-17-6)5-11-9(16)7-3-12-10(18-2)13-4-7/h3-4H,5H2,1-2H3,(H,11,16).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 265.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 91776234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).