3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

C11H6Cl2F3N3O2S — CID 38782989

IUPAC3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1Cl
InChIInChI=1S/C11H6Cl2F3N3O2S/c1-21-7-5(12)2-4(3-6(7)13)8(20)17-10-19-18-9(22-10)11(14,15)16/h2-3H,1H3,(H,17,19,20)
InChIKeyDNVJNSZDFCOLLY-UHFFFAOYSA-N
MW372.16 g/mol
LogP4.12
Rot. Bonds3

About 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 38782989) has the molecular formula C11H6Cl2F3N3O2S and a molecular weight of 372.16 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID38782989
Molecular FormulaC11H6Cl2F3N3O2S
Molecular Weight372.16 g/mol
Exact Mass370.95
IUPAC Name3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1Cl
InChIInChI=1S/C11H6Cl2F3N3O2S/c1-21-7-5(12)2-4(3-6(7)13)8(20)17-10-19-18-9(22-10)11(14,15)16/h2-3H,1H3,(H,17,19,20)
InChIKeyDNVJNSZDFCOLLY-UHFFFAOYSA-N
XLogP4.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 38782989) is 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is COc1c(Cl)cc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is DNVJNSZDFCOLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3N3O2S/c1-21-7-5(12)2-4(3-6(7)13)8(20)17-10-19-18-9(22-10)11(14,15)16/h2-3H,1H3,(H,17,19,20).
What are the key properties of 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 372.16 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 38782989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).