N-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide

C8H6FN3OS — CID 90952388

IUPACN-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ncc(F)s1)c1ccc[nH]1
InChIInChI=1S/C8H6FN3OS/c9-6-4-11-8(14-6)12-7(13)5-2-1-3-10-5/h1-4,10H,(H,11,12,13)
InChIKeyLUMHONUNXBDGNM-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.86
Rot. Bonds2

About N-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide

N-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 90952388) has the molecular formula C8H6FN3OS and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID90952388
Molecular FormulaC8H6FN3OS
Molecular Weight211.22 g/mol
Exact Mass211.02
IUPAC NameN-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ncc(F)s1)c1ccc[nH]1
InChIInChI=1S/C8H6FN3OS/c9-6-4-11-8(14-6)12-7(13)5-2-1-3-10-5/h1-4,10H,(H,11,12,13)
InChIKeyLUMHONUNXBDGNM-UHFFFAOYSA-N
XLogP1.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide (CID 90952388) is N-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide is O=C(Nc1ncc(F)s1)c1ccc[nH]1.
What is the InChIKey of N-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is LUMHONUNXBDGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3OS/c9-6-4-11-8(14-6)12-7(13)5-2-1-3-10-5/h1-4,10H,(H,11,12,13).
What are the key properties of N-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide?
N-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 211.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,3-thiazol-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 90952388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).