2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide

C6H5BrF2N2OS — CID 167312017

IUPAC2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(F)F)c1cnc(Br)s1
InChIInChI=1S/C6H5BrF2N2OS/c7-6-11-1-3(13-6)5(12)10-2-4(8)9/h1,4H,2H2,(H,10,12)
InChIKeyJVELPNVAKBPBMK-UHFFFAOYSA-N
MW271.09 g/mol
LogP1.90
Rot. Bonds3

About 2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide

2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 167312017) has the molecular formula C6H5BrF2N2OS and a molecular weight of 271.09 g/mol. Its IUPAC name is 2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID167312017
Molecular FormulaC6H5BrF2N2OS
Molecular Weight271.09 g/mol
Exact Mass269.93
IUPAC Name2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(F)F)c1cnc(Br)s1
InChIInChI=1S/C6H5BrF2N2OS/c7-6-11-1-3(13-6)5(12)10-2-4(8)9/h1,4H,2H2,(H,10,12)
InChIKeyJVELPNVAKBPBMK-UHFFFAOYSA-N
XLogP1.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
2-bromo-N-[(5-chloro-2-fluorophenyl)methyl]-1,3-thiazole-5-carboxamide
CID 156735153
2-amino-N-(2,2-difluoroethyl)pyrimidine-5-carboxamide
CID 130551008
2-bromo-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 67019715
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
CID 165118178
5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide
CID 113303500
2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 110907781
2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylic acid
CID 115409393
N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
2-bromo-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-1,3-thiazole-5-carboxamide
CID 86701931
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 119527283

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide (CID 167312017) is 2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide is O=C(NCC(F)F)c1cnc(Br)s1.
What is the InChIKey of 2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JVELPNVAKBPBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2OS/c7-6-11-1-3(13-6)5(12)10-2-4(8)9/h1,4H,2H2,(H,10,12).
What are the key properties of 2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide?
2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 271.09 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,2-difluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167312017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).