4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide

C10H5Cl2FN2OS — CID 750407

IUPAC4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nsc(Cl)c1Cl
InChIInChI=1S/C10H5Cl2FN2OS/c11-7-8(15-17-9(7)12)10(16)14-6-3-1-5(13)2-4-6/h1-4H,(H,14,16)
InChIKeyGNZYHWLPACASRA-UHFFFAOYSA-N
MW291.13 g/mol
LogP3.84
Rot. Bonds2

About 4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide

4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide (PubChem CID 750407) has the molecular formula C10H5Cl2FN2OS and a molecular weight of 291.13 g/mol. Its IUPAC name is 4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide
PubChem CID750407
Molecular FormulaC10H5Cl2FN2OS
Molecular Weight291.13 g/mol
Exact Mass289.95
IUPAC Name4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1nsc(Cl)c1Cl
InChIInChI=1S/C10H5Cl2FN2OS/c11-7-8(15-17-9(7)12)10(16)14-6-3-1-5(13)2-4-6/h1-4H,(H,14,16)
InChIKeyGNZYHWLPACASRA-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide (CID 750407) is 4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide is O=C(Nc1ccc(F)cc1)c1nsc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide?
The InChIKey is GNZYHWLPACASRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FN2OS/c11-7-8(15-17-9(7)12)10(16)14-6-3-1-5(13)2-4-6/h1-4H,(H,14,16).
What are the key properties of 4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide has a molecular weight of 291.13 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 750407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).