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

C12H7FN2O2S2 — CID 142758590

IUPAC6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c2ncsc2c1Sc1cccc(F)c1
InChIInChI=1S/C12H7FN2O2S2/c13-6-2-1-3-7(4-6)19-9-8(12(16)17)15-11-10(9)18-5-14-11/h1-5,15H,(H,16,17)
InChIKeyNPCXZCMDTPRBLS-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.61
Rot. Bonds3

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

6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid (PubChem CID 142758590) has the molecular formula C12H7FN2O2S2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
PubChem CID142758590
Molecular FormulaC12H7FN2O2S2
Molecular Weight294.33 g/mol
Exact Mass293.99
IUPAC Name6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c2ncsc2c1Sc1cccc(F)c1
InChIInChI=1S/C12H7FN2O2S2/c13-6-2-1-3-7(4-6)19-9-8(12(16)17)15-11-10(9)18-5-14-11/h1-5,15H,(H,16,17)
InChIKeyNPCXZCMDTPRBLS-UHFFFAOYSA-N
XLogP3.61
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 24815611
methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 67366831
6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 11587407
4-[(3,4-Difluorophenyl)methyl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 18405237
methyl 6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 135380501
2-(2-fluorophenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 156196462
4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;4-(trifluoromethyl)aniline
CID 160216431
2-(Trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 82389311
6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 11529187
2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 82385792
2-Methyl-4H-pyrrolo[2,3-d]thiazole-5-carboxylic acid
CID 92134096
4-Methylpyrrolo[2,3-d]thiazole-5-carboxylic acid
CID 96228354

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid (CID 142758590) is 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid is O=C(O)c1[nH]c2ncsc2c1Sc1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The InChIKey is NPCXZCMDTPRBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2S2/c13-6-2-1-3-7(4-6)19-9-8(12(16)17)15-11-10(9)18-5-14-11/h1-5,15H,(H,16,17).
What are the key properties of 6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 3.61, 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-carboxylic acid is sourced from PubChem (CID 142758590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).