6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C12H9N3OS2 — CID 11529187

IUPAC6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESNC(=O)c1[nH]c2ncsc2c1Sc1ccccc1
InChIInChI=1S/C12H9N3OS2/c13-11(16)8-9(10-12(15-8)14-6-17-10)18-7-4-2-1-3-5-7/h1-6,15H,(H2,13,16)
InChIKeyZURZOOVHMHWWTI-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.87
Rot. Bonds3

About 6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 11529187) has the molecular formula C12H9N3OS2 and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID11529187
Molecular FormulaC12H9N3OS2
Molecular Weight275.36 g/mol
Exact Mass275.02
IUPAC Name6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESNC(=O)c1[nH]c2ncsc2c1Sc1ccccc1
InChIInChI=1S/C12H9N3OS2/c13-11(16)8-9(10-12(15-8)14-6-17-10)18-7-4-2-1-3-5-7/h1-6,15H,(H2,13,16)
InChIKeyZURZOOVHMHWWTI-UHFFFAOYSA-N
XLogP2.87
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 11529187) is 6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is NC(=O)c1[nH]c2ncsc2c1Sc1ccccc1.
What is the InChIKey of 6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is ZURZOOVHMHWWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS2/c13-11(16)8-9(10-12(15-8)14-6-17-10)18-7-4-2-1-3-5-7/h1-6,15H,(H2,13,16).
What are the key properties of 6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylsulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 11529187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).