4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide

C19H10ClF3N2OS2 — CID 587377

IUPAC4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide
SMILESO=C(Nc1nc2c(-c3ccccc3)c(C(F)(F)F)sc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C19H10ClF3N2OS2/c20-12-8-6-11(7-9-12)16(26)25-18-24-14-13(10-4-2-1-3-5-10)15(19(21,22)23)27-17(14)28-18/h1-9H,(H,24,25,26)
InChIKeyCKFZQIPXLXXCOP-UHFFFAOYSA-N
MW438.88 g/mol
LogP6.95
Rot. Bonds3

About 4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide

4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide (PubChem CID 587377) has the molecular formula C19H10ClF3N2OS2 and a molecular weight of 438.88 g/mol. Its IUPAC name is 4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide
PubChem CID587377
Molecular FormulaC19H10ClF3N2OS2
Molecular Weight438.88 g/mol
Exact Mass437.99
IUPAC Name4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide
SMILESO=C(Nc1nc2c(-c3ccccc3)c(C(F)(F)F)sc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C19H10ClF3N2OS2/c20-12-8-6-11(7-9-12)16(26)25-18-24-14-13(10-4-2-1-3-5-10)15(19(21,22)23)27-17(14)28-18/h1-9H,(H,24,25,26)
InChIKeyCKFZQIPXLXXCOP-UHFFFAOYSA-N
XLogP6.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.88
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide (CID 587377) is 4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide is O=C(Nc1nc2c(-c3ccccc3)c(C(F)(F)F)sc2s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide?
The InChIKey is CKFZQIPXLXXCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N2OS2/c20-12-8-6-11(7-9-12)16(26)25-18-24-14-13(10-4-2-1-3-5-10)15(19(21,22)23)27-17(14)28-18/h1-9H,(H,24,25,26).
What are the key properties of 4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide?
4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide has a molecular weight of 438.88 g/mol, XLogP of 6.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-phenyl-5-(trifluoromethyl)thieno[3,2-d][1,3]thiazol-2-yl]benzamide is sourced from PubChem (CID 587377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).