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

C16H14N4O2S — CID 860547

IUPACN-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(OCc2nnc(NC(=O)c3cccnc3)s2)cc1
InChIInChI=1S/C16H14N4O2S/c1-11-4-6-13(7-5-11)22-10-14-19-20-16(23-14)18-15(21)12-3-2-8-17-9-12/h2-9H,10H2,1H3,(H,18,20,21)
InChIKeyDJFULYICNKQPMQ-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.07
Rot. Bonds5

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

N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (PubChem CID 860547) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
PubChem CID860547
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESCc1ccc(OCc2nnc(NC(=O)c3cccnc3)s2)cc1
InChIInChI=1S/C16H14N4O2S/c1-11-4-6-13(7-5-11)22-10-14-19-20-16(23-14)18-15(21)12-3-2-8-17-9-12/h2-9H,10H2,1H3,(H,18,20,21)
InChIKeyDJFULYICNKQPMQ-UHFFFAOYSA-N
XLogP3.07
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-Pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-2-o-tolyloxy-acetamide
CID 929361
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-ethoxypyridine-3-carboxamide
CID 2378817
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1402105
4-[[5-[(5-Benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 46851466
3-Methoxy-N-(2-methoxy-ethyl)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-benzamide
CID 650936
N-Methyl-2-phenoxy-N-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 651096
2-(2-Fluoro-phenoxy)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 921459
2-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 2114513
N-(2-methoxyethyl)-3-(4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 3212762
N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3212809
[4-[2-Oxo-2-[[5-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]phenyl] acetate
CID 127049683
2-ethoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 2442210

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (CID 860547) is N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is Cc1ccc(OCc2nnc(NC(=O)c3cccnc3)s2)cc1.
What is the InChIKey of N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is DJFULYICNKQPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-11-4-6-13(7-5-11)22-10-14-19-20-16(23-14)18-15(21)12-3-2-8-17-9-12/h2-9H,10H2,1H3,(H,18,20,21).
What are the key properties of N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 860547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).