1H-pyrrole;1,3-thiazole-2-carboxamide

C8H9N3OS — CID 68572228

IUPAC1H-pyrrole;1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nccs1.c1cc[nH]c1
InChIInChI=1S/C4H4N2OS.C4H5N/c5-3(7)4-6-1-2-8-4;1-2-4-5-3-1/h1-2H,(H2,5,7);1-5H
InChIKeyDFBMVXVINQVSSQ-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.26
Rot. Bonds1

About 1H-pyrrole;1,3-thiazole-2-carboxamide

1H-pyrrole;1,3-thiazole-2-carboxamide (PubChem CID 68572228) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 1H-pyrrole;1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name1H-pyrrole;1,3-thiazole-2-carboxamide
PubChem CID68572228
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name1H-pyrrole;1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nccs1.c1cc[nH]c1
InChIInChI=1S/C4H4N2OS.C4H5N/c5-3(7)4-6-1-2-8-4;1-2-4-5-3-1/h1-2H,(H2,5,7);1-5H
InChIKeyDFBMVXVINQVSSQ-UHFFFAOYSA-N
XLogP1.26
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole;1,3-thiazole-2-carboxamide?
The IUPAC name of 1H-pyrrole;1,3-thiazole-2-carboxamide (CID 68572228) is 1H-pyrrole;1,3-thiazole-2-carboxamide.
What is the SMILES notation for 1H-pyrrole;1,3-thiazole-2-carboxamide?
The canonical SMILES for 1H-pyrrole;1,3-thiazole-2-carboxamide is NC(=O)c1nccs1.c1cc[nH]c1.
What is the InChIKey of 1H-pyrrole;1,3-thiazole-2-carboxamide?
The InChIKey is DFBMVXVINQVSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2OS.C4H5N/c5-3(7)4-6-1-2-8-4;1-2-4-5-3-1/h1-2H,(H2,5,7);1-5H.
What are the key properties of 1H-pyrrole;1,3-thiazole-2-carboxamide?
1H-pyrrole;1,3-thiazole-2-carboxamide has a molecular weight of 195.25 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole;1,3-thiazole-2-carboxamide is sourced from PubChem (CID 68572228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).