N-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide

C15H12ClN5OS — CID 135272269

IUPACN-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide
SMILESCc1cnc(-c2nsc(NC(=O)c3cccnc3C)n2)c(Cl)c1
InChIInChI=1S/C15H12ClN5OS/c1-8-6-11(16)12(18-7-8)13-19-15(23-21-13)20-14(22)10-4-3-5-17-9(10)2/h3-7H,1-2H3,(H,19,20,21,22)
InChIKeyGGKYYABZBCTIJD-UHFFFAOYSA-N
MW345.82 g/mol
LogP3.52
Rot. Bonds3

About N-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide

N-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide (PubChem CID 135272269) has the molecular formula C15H12ClN5OS and a molecular weight of 345.82 g/mol. Its IUPAC name is N-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide
PubChem CID135272269
Molecular FormulaC15H12ClN5OS
Molecular Weight345.82 g/mol
Exact Mass345.05
IUPAC NameN-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide
SMILESCc1cnc(-c2nsc(NC(=O)c3cccnc3C)n2)c(Cl)c1
InChIInChI=1S/C15H12ClN5OS/c1-8-6-11(16)12(18-7-8)13-19-15(23-21-13)20-14(22)10-4-3-5-17-9(10)2/h3-7H,1-2H3,(H,19,20,21,22)
InChIKeyGGKYYABZBCTIJD-UHFFFAOYSA-N
XLogP3.52
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide (CID 135272269) is N-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide is Cc1cnc(-c2nsc(NC(=O)c3cccnc3C)n2)c(Cl)c1.
What is the InChIKey of N-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is GGKYYABZBCTIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5OS/c1-8-6-11(16)12(18-7-8)13-19-15(23-21-13)20-14(22)10-4-3-5-17-9(10)2/h3-7H,1-2H3,(H,19,20,21,22).
What are the key properties of N-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide?
N-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 345.82 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-5-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 135272269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).