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

C15H11ClN4OS — CID 750496

IUPACN-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccncc1
InChIInChI=1S/C15H11ClN4OS/c16-12-3-1-10(2-4-12)9-13-19-20-15(22-13)18-14(21)11-5-7-17-8-6-11/h1-8H,9H2,(H,18,20,21)
InChIKeyMIQMPSHECPUIJO-UHFFFAOYSA-N
MW330.80 g/mol
LogP3.43
Rot. Bonds4

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

N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (PubChem CID 750496) has the molecular formula C15H11ClN4OS and a molecular weight of 330.80 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
PubChem CID750496
Molecular FormulaC15H11ClN4OS
Molecular Weight330.80 g/mol
Exact Mass330.03
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccncc1
InChIInChI=1S/C15H11ClN4OS/c16-12-3-1-10(2-4-12)9-13-19-20-15(22-13)18-14(21)11-5-7-17-8-6-11/h1-8H,9H2,(H,18,20,21)
InChIKeyMIQMPSHECPUIJO-UHFFFAOYSA-N
XLogP3.43
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (CID 750496) is N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccncc1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is MIQMPSHECPUIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4OS/c16-12-3-1-10(2-4-12)9-13-19-20-15(22-13)18-14(21)11-5-7-17-8-6-11/h1-8H,9H2,(H,18,20,21).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 330.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 750496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).