N-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide

C14H10F3N3OS — CID 146326494

IUPACN-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2[nH]c(-c3ccccc3C(F)(F)F)cc2s1
InChIInChI=1S/C14H10F3N3OS/c1-7(21)18-13-20-12-11(22-13)6-10(19-12)8-4-2-3-5-9(8)14(15,16)17/h2-6,19H,1H3,(H,18,20,21)
InChIKeyOCOJWOQFNPHHCL-UHFFFAOYSA-N
MW325.32 g/mol
LogP4.27
Rot. Bonds2

About N-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide

N-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide (PubChem CID 146326494) has the molecular formula C14H10F3N3OS and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide
PubChem CID146326494
Molecular FormulaC14H10F3N3OS
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC NameN-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2[nH]c(-c3ccccc3C(F)(F)F)cc2s1
InChIInChI=1S/C14H10F3N3OS/c1-7(21)18-13-20-12-11(22-13)6-10(19-12)8-4-2-3-5-9(8)14(15,16)17/h2-6,19H,1H3,(H,18,20,21)
InChIKeyOCOJWOQFNPHHCL-UHFFFAOYSA-N
XLogP4.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide (CID 146326494) is N-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide is CC(=O)Nc1nc2[nH]c(-c3ccccc3C(F)(F)F)cc2s1.
What is the InChIKey of N-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide?
The InChIKey is OCOJWOQFNPHHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS/c1-7(21)18-13-20-12-11(22-13)6-10(19-12)8-4-2-3-5-9(8)14(15,16)17/h2-6,19H,1H3,(H,18,20,21).
What are the key properties of N-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide?
N-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide has a molecular weight of 325.32 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazol-2-yl]acetamide is sourced from PubChem (CID 146326494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).