8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide

C13H5ClF3N3O3S — CID 146487160

IUPAC8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1cc(=O)c2cccc(Cl)c2o1
InChIInChI=1S/C13H5ClF3N3O3S/c14-6-3-1-2-5-7(21)4-8(23-9(5)6)10(22)18-12-20-19-11(24-12)13(15,16)17/h1-4H,(H,18,20,22)
InChIKeyAMMVFRFRZFATOF-UHFFFAOYSA-N
MW375.72 g/mol
LogP3.57
Rot. Bonds2

About 8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide

8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide (PubChem CID 146487160) has the molecular formula C13H5ClF3N3O3S and a molecular weight of 375.72 g/mol. Its IUPAC name is 8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide.

Molecular Properties

Compound Name8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide
PubChem CID146487160
Molecular FormulaC13H5ClF3N3O3S
Molecular Weight375.72 g/mol
Exact Mass374.97
IUPAC Name8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1cc(=O)c2cccc(Cl)c2o1
InChIInChI=1S/C13H5ClF3N3O3S/c14-6-3-1-2-5-7(21)4-8(23-9(5)6)10(22)18-12-20-19-11(24-12)13(15,16)17/h1-4H,(H,18,20,22)
InChIKeyAMMVFRFRZFATOF-UHFFFAOYSA-N
XLogP3.57
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide?
The IUPAC name of 8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide (CID 146487160) is 8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide.
What is the SMILES notation for 8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide?
The canonical SMILES for 8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)c1cc(=O)c2cccc(Cl)c2o1.
What is the InChIKey of 8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide?
The InChIKey is AMMVFRFRZFATOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5ClF3N3O3S/c14-6-3-1-2-5-7(21)4-8(23-9(5)6)10(22)18-12-20-19-11(24-12)13(15,16)17/h1-4H,(H,18,20,22).
What are the key properties of 8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide?
8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide has a molecular weight of 375.72 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide is sourced from PubChem (CID 146487160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).