4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide

C18H14N6O2S — CID 58683963

IUPAC4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide
SMILESCc1ccc(-c2ccno2)cc1-c1cnc(NC(=O)c2snnc2C)cn1
InChIInChI=1S/C18H14N6O2S/c1-10-3-4-12(15-5-6-21-26-15)7-13(10)14-8-20-16(9-19-14)22-18(25)17-11(2)23-24-27-17/h3-9H,1-2H3,(H,20,22,25)
InChIKeyLBBPJNSNUZHORQ-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.52
Rot. Bonds4

About 4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide

4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide (PubChem CID 58683963) has the molecular formula C18H14N6O2S and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide
PubChem CID58683963
Molecular FormulaC18H14N6O2S
Molecular Weight378.42 g/mol
Exact Mass378.09
IUPAC Name4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide
SMILESCc1ccc(-c2ccno2)cc1-c1cnc(NC(=O)c2snnc2C)cn1
InChIInChI=1S/C18H14N6O2S/c1-10-3-4-12(15-5-6-21-26-15)7-13(10)14-8-20-16(9-19-14)22-18(25)17-11(2)23-24-27-17/h3-9H,1-2H3,(H,20,22,25)
InChIKeyLBBPJNSNUZHORQ-UHFFFAOYSA-N
XLogP3.52
TPSA106.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide (CID 58683963) is 4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide is Cc1ccc(-c2ccno2)cc1-c1cnc(NC(=O)c2snnc2C)cn1.
What is the InChIKey of 4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide?
The InChIKey is LBBPJNSNUZHORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2S/c1-10-3-4-12(15-5-6-21-26-15)7-13(10)14-8-20-16(9-19-14)22-18(25)17-11(2)23-24-27-17/h3-9H,1-2H3,(H,20,22,25).
What are the key properties of 4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide?
4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]pyrazin-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 58683963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).