2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide

C16H15F2N3OS2 — CID 52689103

IUPAC2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)Nc3c(F)cccc3F)cc2s1
InChIInChI=1S/C16H15F2N3OS2/c1-3-21(4-2)16-20-15-12(24-16)8-11(23-15)14(22)19-13-9(17)6-5-7-10(13)18/h5-8H,3-4H2,1-2H3,(H,19,22)
InChIKeyZOYWJCQNTBOLFH-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.73
Rot. Bonds5

About 2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 52689103) has the molecular formula C16H15F2N3OS2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID52689103
Molecular FormulaC16H15F2N3OS2
Molecular Weight367.45 g/mol
Exact Mass367.06
IUPAC Name2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCCN(CC)c1nc2sc(C(=O)Nc3c(F)cccc3F)cc2s1
InChIInChI=1S/C16H15F2N3OS2/c1-3-21(4-2)16-20-15-12(24-16)8-11(23-15)14(22)19-13-9(17)6-5-7-10(13)18/h5-8H,3-4H2,1-2H3,(H,19,22)
InChIKeyZOYWJCQNTBOLFH-UHFFFAOYSA-N
XLogP4.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 52689103) is 2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is CCN(CC)c1nc2sc(C(=O)Nc3c(F)cccc3F)cc2s1.
What is the InChIKey of 2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is ZOYWJCQNTBOLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3OS2/c1-3-21(4-2)16-20-15-12(24-16)8-11(23-15)14(22)19-13-9(17)6-5-7-10(13)18/h5-8H,3-4H2,1-2H3,(H,19,22).
What are the key properties of 2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2,6-difluorophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 52689103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).