3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

C13H11ClF3N3O2S — CID 139940895

IUPAC3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCC(C)Oc1c(Cl)cccc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C13H11ClF3N3O2S/c1-6(2)22-9-7(4-3-5-8(9)14)10(21)18-12-20-19-11(23-12)13(15,16)17/h3-6H,1-2H3,(H,18,20,21)
InChIKeyXEUPJXPNDFKLGS-UHFFFAOYSA-N
MW365.76 g/mol
LogP4.25
Rot. Bonds4

About 3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide

3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 139940895) has the molecular formula C13H11ClF3N3O2S and a molecular weight of 365.76 g/mol. Its IUPAC name is 3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID139940895
Molecular FormulaC13H11ClF3N3O2S
Molecular Weight365.76 g/mol
Exact Mass365.02
IUPAC Name3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCC(C)Oc1c(Cl)cccc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C13H11ClF3N3O2S/c1-6(2)22-9-7(4-3-5-8(9)14)10(21)18-12-20-19-11(23-12)13(15,16)17/h3-6H,1-2H3,(H,18,20,21)
InChIKeyXEUPJXPNDFKLGS-UHFFFAOYSA-N
XLogP4.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.76
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 139940895) is 3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is CC(C)Oc1c(Cl)cccc1C(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is XEUPJXPNDFKLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O2S/c1-6(2)22-9-7(4-3-5-8(9)14)10(21)18-12-20-19-11(23-12)13(15,16)17/h3-6H,1-2H3,(H,18,20,21).
What are the key properties of 3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 365.76 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-propan-2-yloxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 139940895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).