N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide

C14H12N6OS — CID 648641

IUPACN-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
SMILESCc1cnc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cn1
InChIInChI=1S/C14H12N6OS/c1-9-7-17-11(8-16-9)12-18-19-14(22-12)20(2)13(21)10-5-3-4-6-15-10/h3-8H,1-2H3
InChIKeyKPDLRIHSAGCRSG-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.98
Rot. Bonds3

About N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide

N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide (PubChem CID 648641) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
PubChem CID648641
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC NameN-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
SMILESCc1cnc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cn1
InChIInChI=1S/C14H12N6OS/c1-9-7-17-11(8-16-9)12-18-19-14(22-12)20(2)13(21)10-5-3-4-6-15-10/h3-8H,1-2H3
InChIKeyKPDLRIHSAGCRSG-UHFFFAOYSA-N
XLogP1.98
TPSA84.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide (CID 648641) is N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide is Cc1cnc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cn1.
What is the InChIKey of N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is KPDLRIHSAGCRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c1-9-7-17-11(8-16-9)12-18-19-14(22-12)20(2)13(21)10-5-3-4-6-15-10/h3-8H,1-2H3.
What are the key properties of N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(5-methylpyrazin-2-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 648641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).