3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide

C11H6ClF3N2OS — CID 13139557

IUPAC3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(Cl)nsc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H6ClF3N2OS/c12-9-7(10(16)18)8(19-17-9)5-2-1-3-6(4-5)11(13,14)15/h1-4H,(H2,16,18)
InChIKeyMOPUJKTXESSGPO-UHFFFAOYSA-N
MW306.70 g/mol
LogP3.58
Rot. Bonds2

About 3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide

3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide (PubChem CID 13139557) has the molecular formula C11H6ClF3N2OS and a molecular weight of 306.70 g/mol. Its IUPAC name is 3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide
PubChem CID13139557
Molecular FormulaC11H6ClF3N2OS
Molecular Weight306.70 g/mol
Exact Mass305.98
IUPAC Name3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1c(Cl)nsc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H6ClF3N2OS/c12-9-7(10(16)18)8(19-17-9)5-2-1-3-6(4-5)11(13,14)15/h1-4H,(H2,16,18)
InChIKeyMOPUJKTXESSGPO-UHFFFAOYSA-N
XLogP3.58
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide (CID 13139557) is 3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide is NC(=O)c1c(Cl)nsc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide?
The InChIKey is MOPUJKTXESSGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2OS/c12-9-7(10(16)18)8(19-17-9)5-2-1-3-6(4-5)11(13,14)15/h1-4H,(H2,16,18).
What are the key properties of 3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide?
3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide has a molecular weight of 306.70 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-(trifluoromethyl)phenyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 13139557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).