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

C16H12Cl2N4OS — CID 1078944

IUPAC2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1Cl)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C16H12Cl2N4OS/c1-2-22(15(23)12-4-3-11(17)9-13(12)18)16-21-20-14(24-16)10-5-7-19-8-6-10/h3-9H,2H2,1H3
InChIKeyWLUPVJYULNGSIE-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.57
Rot. Bonds4

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

2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1078944) has the molecular formula C16H12Cl2N4OS and a molecular weight of 379.27 g/mol. Its IUPAC name is 2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1078944
Molecular FormulaC16H12Cl2N4OS
Molecular Weight379.27 g/mol
Exact Mass378.01
IUPAC Name2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(Cl)cc1Cl)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C16H12Cl2N4OS/c1-2-22(15(23)12-4-3-11(17)9-13(12)18)16-21-20-14(24-16)10-5-7-19-8-6-10/h3-9H,2H2,1H3
InChIKeyWLUPVJYULNGSIE-UHFFFAOYSA-N
XLogP4.57
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 1078944) is 2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide is CCN(C(=O)c1ccc(Cl)cc1Cl)c1nnc(-c2ccncc2)s1.
What is the InChIKey of 2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is WLUPVJYULNGSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4OS/c1-2-22(15(23)12-4-3-11(17)9-13(12)18)16-21-20-14(24-16)10-5-7-19-8-6-10/h3-9H,2H2,1H3.
What are the key properties of 2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide?
2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 379.27 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1078944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).