3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide

C16H13ClN4OS — CID 166581236

IUPAC3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1nc(-c2ccncc2)ns1
InChIInChI=1S/C16H13ClN4OS/c17-13-4-1-11(2-5-13)3-6-14(22)19-16-20-15(21-23-16)12-7-9-18-10-8-12/h1-2,4-5,7-10H,3,6H2,(H,19,20,21,22)
InChIKeyCFYBPYJVXIGPJF-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.82
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide

3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 166581236) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID166581236
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC Name3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1nc(-c2ccncc2)ns1
InChIInChI=1S/C16H13ClN4OS/c17-13-4-1-11(2-5-13)3-6-14(22)19-16-20-15(21-23-16)12-7-9-18-10-8-12/h1-2,4-5,7-10H,3,6H2,(H,19,20,21,22)
InChIKeyCFYBPYJVXIGPJF-UHFFFAOYSA-N
XLogP3.82
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide (CID 166581236) is 3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide is O=C(CCc1ccc(Cl)cc1)Nc1nc(-c2ccncc2)ns1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is CFYBPYJVXIGPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c17-13-4-1-11(2-5-13)3-6-14(22)19-16-20-15(21-23-16)12-7-9-18-10-8-12/h1-2,4-5,7-10H,3,6H2,(H,19,20,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide?
3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 344.83 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-pyridin-4-yl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 166581236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).