6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C12H8FN3OS2 — CID 11587407

IUPAC6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESNC(=O)c1[nH]c2ncsc2c1Sc1cccc(F)c1
InChIInChI=1S/C12H8FN3OS2/c13-6-2-1-3-7(4-6)19-9-8(11(14)17)16-12-10(9)18-5-15-12/h1-5,16H,(H2,14,17)
InChIKeyXUZZYHHHPFOTDR-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.01
Rot. Bonds3

About 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 11587407) has the molecular formula C12H8FN3OS2 and a molecular weight of 293.35 g/mol. Its IUPAC name is 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID11587407
Molecular FormulaC12H8FN3OS2
Molecular Weight293.35 g/mol
Exact Mass293.01
IUPAC Name6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESNC(=O)c1[nH]c2ncsc2c1Sc1cccc(F)c1
InChIInChI=1S/C12H8FN3OS2/c13-6-2-1-3-7(4-6)19-9-8(11(14)17)16-12-10(9)18-5-15-12/h1-5,16H,(H2,14,17)
InChIKeyXUZZYHHHPFOTDR-UHFFFAOYSA-N
XLogP3.01
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 11587407) is 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is NC(=O)c1[nH]c2ncsc2c1Sc1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is XUZZYHHHPFOTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3OS2/c13-6-2-1-3-7(4-6)19-9-8(11(14)17)16-12-10(9)18-5-15-12/h1-5,16H,(H2,14,17).
What are the key properties of 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 11587407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).