N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide

C8H4BrCl2N3OS — CID 60785288

IUPACN-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ncc(Br)s1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C8H4BrCl2N3OS/c9-5-2-12-8(16-5)14-7(15)4-1-3(10)6(11)13-4/h1-2,13H,(H,12,14,15)
InChIKeyNLBYFXLUCRSGFN-UHFFFAOYSA-N
MW341.02 g/mol
LogP3.79
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide (PubChem CID 60785288) has the molecular formula C8H4BrCl2N3OS and a molecular weight of 341.02 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide
PubChem CID60785288
Molecular FormulaC8H4BrCl2N3OS
Molecular Weight341.02 g/mol
Exact Mass338.86
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ncc(Br)s1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C8H4BrCl2N3OS/c9-5-2-12-8(16-5)14-7(15)4-1-3(10)6(11)13-4/h1-2,13H,(H,12,14,15)
InChIKeyNLBYFXLUCRSGFN-UHFFFAOYSA-N
XLogP3.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.02
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide (CID 60785288) is N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide is O=C(Nc1ncc(Br)s1)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The InChIKey is NLBYFXLUCRSGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl2N3OS/c9-5-2-12-8(16-5)14-7(15)4-1-3(10)6(11)13-4/h1-2,13H,(H,12,14,15).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide has a molecular weight of 341.02 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60785288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).