4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

C8H7BrN4OS — CID 43424157

IUPAC4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1nncs1
InChIInChI=1S/C8H7BrN4OS/c1-13-3-5(9)2-6(13)7(14)11-8-12-10-4-15-8/h2-4H,1H3,(H,11,12,14)
InChIKeyXSIJJSDVNHCMSJ-UHFFFAOYSA-N
MW287.14 g/mol
LogP1.89
Rot. Bonds2

About 4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide

4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (PubChem CID 43424157) has the molecular formula C8H7BrN4OS and a molecular weight of 287.14 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
PubChem CID43424157
Molecular FormulaC8H7BrN4OS
Molecular Weight287.14 g/mol
Exact Mass285.95
IUPAC Name4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)Nc1nncs1
InChIInChI=1S/C8H7BrN4OS/c1-13-3-5(9)2-6(13)7(14)11-8-12-10-4-15-8/h2-4H,1H3,(H,11,12,14)
InChIKeyXSIJJSDVNHCMSJ-UHFFFAOYSA-N
XLogP1.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide (CID 43424157) is 4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)Nc1nncs1.
What is the InChIKey of 4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is XSIJJSDVNHCMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4OS/c1-13-3-5(9)2-6(13)7(14)11-8-12-10-4-15-8/h2-4H,1H3,(H,11,12,14).
What are the key properties of 4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 287.14 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43424157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).