3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide

C14H8Cl2N4OS — CID 1313237

IUPAC3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccnc2)s1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2N4OS/c15-10-4-3-8(6-11(10)16)12(21)18-14-20-19-13(22-14)9-2-1-5-17-7-9/h1-7H,(H,18,20,21)
InChIKeyWVCIAUIINXJBKP-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.16
Rot. Bonds3

About 3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide

3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1313237) has the molecular formula C14H8Cl2N4OS and a molecular weight of 351.22 g/mol. Its IUPAC name is 3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1313237
Molecular FormulaC14H8Cl2N4OS
Molecular Weight351.22 g/mol
Exact Mass349.98
IUPAC Name3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccnc2)s1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H8Cl2N4OS/c15-10-4-3-8(6-11(10)16)12(21)18-14-20-19-13(22-14)9-2-1-5-17-7-9/h1-7H,(H,18,20,21)
InChIKeyWVCIAUIINXJBKP-UHFFFAOYSA-N
XLogP4.16
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 1313237) is 3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccnc2)s1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is WVCIAUIINXJBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N4OS/c15-10-4-3-8(6-11(10)16)12(21)18-14-20-19-13(22-14)9-2-1-5-17-7-9/h1-7H,(H,18,20,21).
What are the key properties of 3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 351.22 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1313237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).