2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

C17H14F3N3OS — CID 11588658

IUPAC2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nccs2)c(C)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3OS/c1-10-9-12(15(24)22-16-21-7-8-25-16)11(2)23(10)14-6-4-3-5-13(14)17(18,19)20/h3-9H,1-2H3,(H,21,22,24)
InChIKeyFFDCRIZBVDBZMB-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.82
Rot. Bonds3

About 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 11588658) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID11588658
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nccs2)c(C)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H14F3N3OS/c1-10-9-12(15(24)22-16-21-7-8-25-16)11(2)23(10)14-6-4-3-5-13(14)17(18,19)20/h3-9H,1-2H3,(H,21,22,24)
InChIKeyFFDCRIZBVDBZMB-UHFFFAOYSA-N
XLogP4.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 11588658) is 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2nccs2)c(C)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is FFDCRIZBVDBZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-10-9-12(15(24)22-16-21-7-8-25-16)11(2)23(10)14-6-4-3-5-13(14)17(18,19)20/h3-9H,1-2H3,(H,21,22,24).
What are the key properties of 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 11588658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).