6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C13H7ClF3N3OS — CID 2316654

IUPAC6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1c(Cl)nc2sccn12
InChIInChI=1S/C13H7ClF3N3OS/c14-10-9(20-4-5-22-12(20)19-10)11(21)18-8-3-1-2-7(6-8)13(15,16)17/h1-6H,(H,18,21)
InChIKeyMICTVZGUYBXSEP-UHFFFAOYSA-N
MW345.73 g/mol
LogP4.32
Rot. Bonds2

About 6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 2316654) has the molecular formula C13H7ClF3N3OS and a molecular weight of 345.73 g/mol. Its IUPAC name is 6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID2316654
Molecular FormulaC13H7ClF3N3OS
Molecular Weight345.73 g/mol
Exact Mass345.00
IUPAC Name6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1c(Cl)nc2sccn12
InChIInChI=1S/C13H7ClF3N3OS/c14-10-9(20-4-5-22-12(20)19-10)11(21)18-8-3-1-2-7(6-8)13(15,16)17/h1-6H,(H,18,21)
InChIKeyMICTVZGUYBXSEP-UHFFFAOYSA-N
XLogP4.32
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.73
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 2316654) is 6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is MICTVZGUYBXSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3OS/c14-10-9(20-4-5-22-12(20)19-10)11(21)18-8-3-1-2-7(6-8)13(15,16)17/h1-6H,(H,18,21).
What are the key properties of 6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 345.73 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 2316654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).