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

C16H13ClN4OS — CID 1451867

IUPAC3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C16H13ClN4OS/c1-2-21(15(22)11-5-3-7-13(17)9-11)16-20-19-14(23-16)12-6-4-8-18-10-12/h3-10H,2H2,1H3
InChIKeyQTXHNQHXFSSBPM-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.92
Rot. Bonds4

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

3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1451867) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1451867
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC Name3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2cccnc2)s1
InChIInChI=1S/C16H13ClN4OS/c1-2-21(15(22)11-5-3-7-13(17)9-11)16-20-19-14(23-16)12-6-4-8-18-10-12/h3-10H,2H2,1H3
InChIKeyQTXHNQHXFSSBPM-UHFFFAOYSA-N
XLogP3.92
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 1451867) is 3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is CCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2cccnc2)s1.
What is the InChIKey of 3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is QTXHNQHXFSSBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c1-2-21(15(22)11-5-3-7-13(17)9-11)16-20-19-14(23-16)12-6-4-8-18-10-12/h3-10H,2H2,1H3.
What are the key properties of 3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 344.83 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1451867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).