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

C8H9N3OS — CID 174905845

IUPAC1H-pyrrole-2-carboxamide;1,3-thiazole
SMILESNC(=O)c1ccc[nH]1.c1cscn1
InChIInChI=1S/C5H6N2O.C3H3NS/c6-5(8)4-2-1-3-7-4;1-2-5-3-4-1/h1-3,7H,(H2,6,8);1-3H
InChIKeyBEPVALIDPFXHGX-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.26
Rot. Bonds1

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

1H-pyrrole-2-carboxamide;1,3-thiazole (PubChem CID 174905845) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 1H-pyrrole-2-carboxamide;1,3-thiazole.

Molecular Properties

Compound Name1H-pyrrole-2-carboxamide;1,3-thiazole
PubChem CID174905845
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name1H-pyrrole-2-carboxamide;1,3-thiazole
SMILESNC(=O)c1ccc[nH]1.c1cscn1
InChIInChI=1S/C5H6N2O.C3H3NS/c6-5(8)4-2-1-3-7-4;1-2-5-3-4-1/h1-3,7H,(H2,6,8);1-3H
InChIKeyBEPVALIDPFXHGX-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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Related Compounds

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(115N)1H-pyrrole-2-carboxylic acid
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chromium(3+);tris(1H-pyrrole-2-carboxylate)
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sodium 1H-pyrrole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole-2-carboxamide;1,3-thiazole?
The IUPAC name of 1H-pyrrole-2-carboxamide;1,3-thiazole (CID 174905845) is 1H-pyrrole-2-carboxamide;1,3-thiazole.
What is the SMILES notation for 1H-pyrrole-2-carboxamide;1,3-thiazole?
The canonical SMILES for 1H-pyrrole-2-carboxamide;1,3-thiazole is NC(=O)c1ccc[nH]1.c1cscn1.
What is the InChIKey of 1H-pyrrole-2-carboxamide;1,3-thiazole?
The InChIKey is BEPVALIDPFXHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.C3H3NS/c6-5(8)4-2-1-3-7-4;1-2-5-3-4-1/h1-3,7H,(H2,6,8);1-3H.
What are the key properties of 1H-pyrrole-2-carboxamide;1,3-thiazole?
1H-pyrrole-2-carboxamide;1,3-thiazole 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-2-carboxamide;1,3-thiazole is sourced from PubChem (CID 174905845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).