4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C11H10F3N3OS — CID 139028068

IUPAC4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H10F3N3OS/c1-7-8(9(18)15-6-11(12,13)14)19-10(16-7)17-4-2-3-5-17/h2-5H,6H2,1H3,(H,15,18)
InChIKeyFEMUNCZDFLHDDS-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.53
Rot. Bonds3

About 4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 139028068) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID139028068
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H10F3N3OS/c1-7-8(9(18)15-6-11(12,13)14)19-10(16-7)17-4-2-3-5-17/h2-5H,6H2,1H3,(H,15,18)
InChIKeyFEMUNCZDFLHDDS-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 139028068) is 4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is FEMUNCZDFLHDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-7-8(9(18)15-6-11(12,13)14)19-10(16-7)17-4-2-3-5-17/h2-5H,6H2,1H3,(H,15,18).
What are the key properties of 4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 289.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 139028068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).