N-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide

C6H6BrN3OS — CID 47438479

IUPACN-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide
SMILESC=C(Br)CNC(=O)c1cnns1
InChIInChI=1S/C6H6BrN3OS/c1-4(7)2-8-6(11)5-3-9-10-12-5/h3H,1-2H2,(H,8,11)
InChIKeyIYTOHOUGAROCJF-UHFFFAOYSA-N
MW248.10 g/mol
LogP1.18
Rot. Bonds3

About N-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide

N-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide (PubChem CID 47438479) has the molecular formula C6H6BrN3OS and a molecular weight of 248.10 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide
PubChem CID47438479
Molecular FormulaC6H6BrN3OS
Molecular Weight248.10 g/mol
Exact Mass246.94
IUPAC NameN-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide
SMILESC=C(Br)CNC(=O)c1cnns1
InChIInChI=1S/C6H6BrN3OS/c1-4(7)2-8-6(11)5-3-9-10-12-5/h3H,1-2H2,(H,8,11)
InChIKeyIYTOHOUGAROCJF-UHFFFAOYSA-N
XLogP1.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide (CID 47438479) is N-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide is C=C(Br)CNC(=O)c1cnns1.
What is the InChIKey of N-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide?
The InChIKey is IYTOHOUGAROCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3OS/c1-4(7)2-8-6(11)5-3-9-10-12-5/h3H,1-2H2,(H,8,11).
What are the key properties of N-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide?
N-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide has a molecular weight of 248.10 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 47438479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).