N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide

C7H8BrF2N3OS — CID 107491897

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide
SMILESO=C(c1cnns1)N(CCBr)CC(F)F
InChIInChI=1S/C7H8BrF2N3OS/c8-1-2-13(4-6(9)10)7(14)5-3-11-12-15-5/h3,6H,1-2,4H2
InChIKeyMSDXBEVFYZWOLL-UHFFFAOYSA-N
MW300.13 g/mol
LogP1.64
Rot. Bonds5

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide

N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide (PubChem CID 107491897) has the molecular formula C7H8BrF2N3OS and a molecular weight of 300.13 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide
PubChem CID107491897
Molecular FormulaC7H8BrF2N3OS
Molecular Weight300.13 g/mol
Exact Mass298.95
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide
SMILESO=C(c1cnns1)N(CCBr)CC(F)F
InChIInChI=1S/C7H8BrF2N3OS/c8-1-2-13(4-6(9)10)7(14)5-3-11-12-15-5/h3,6H,1-2,4H2
InChIKeyMSDXBEVFYZWOLL-UHFFFAOYSA-N
XLogP1.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 103857295
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
CID 107482500
N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide
CID 107491422
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107492283
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 107492663
N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide
CID 114383417
N-(3-amino-2,2-difluoropropyl)thiadiazole-5-carboxamide;hydrochloride
CID 120409382
N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 126782209
N-(3,3-difluorobutan-2-yl)thiadiazole-5-carboxamide
CID 126793926
N-(2-fluoroethyl)thiadiazole-5-carboxamide
CID 130693984
N-(2,2-difluoroethyl)thiadiazole-5-carboxamide
CID 130945825
N-(2-bromoprop-2-enyl)thiadiazole-5-carboxamide
CID 47438479

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide (CID 107491897) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide is O=C(c1cnns1)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide?
The InChIKey is MSDXBEVFYZWOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF2N3OS/c8-1-2-13(4-6(9)10)7(14)5-3-11-12-15-5/h3,6H,1-2,4H2.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide has a molecular weight of 300.13 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 107491897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).