3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide

C12H6Cl2F3N3O2S — CID 175113185

IUPAC3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)C(F)(F)F)c1snc(Cl)c1Cl
InChIInChI=1S/C12H6Cl2F3N3O2S/c13-7-8(23-20-9(7)14)10(21)18-5-3-1-2-4-6(5)19-11(22)12(15,16)17/h1-4H,(H,18,21)(H,19,22)
InChIKeyXKSGIOUJIRVTCL-UHFFFAOYSA-N
MW384.17 g/mol
LogP4.20
Rot. Bonds3

About 3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide

3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide (PubChem CID 175113185) has the molecular formula C12H6Cl2F3N3O2S and a molecular weight of 384.17 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide
PubChem CID175113185
Molecular FormulaC12H6Cl2F3N3O2S
Molecular Weight384.17 g/mol
Exact Mass382.95
IUPAC Name3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1NC(=O)C(F)(F)F)c1snc(Cl)c1Cl
InChIInChI=1S/C12H6Cl2F3N3O2S/c13-7-8(23-20-9(7)14)10(21)18-5-3-1-2-4-6(5)19-11(22)12(15,16)17/h1-4H,(H,18,21)(H,19,22)
InChIKeyXKSGIOUJIRVTCL-UHFFFAOYSA-N
XLogP4.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.17
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide (CID 175113185) is 3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide is O=C(Nc1ccccc1NC(=O)C(F)(F)F)c1snc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide?
The InChIKey is XKSGIOUJIRVTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2F3N3O2S/c13-7-8(23-20-9(7)14)10(21)18-5-3-1-2-4-6(5)19-11(22)12(15,16)17/h1-4H,(H,18,21)(H,19,22).
What are the key properties of 3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide?
3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide has a molecular weight of 384.17 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 175113185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).