N-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide

C7H7BrN2OS — CID 54595974

IUPACN-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncc(Br)s1)C1CC1
InChIInChI=1S/C7H7BrN2OS/c8-5-3-9-7(12-5)10-6(11)4-1-2-4/h3-4H,1-2H2,(H,9,10,11)
InChIKeyMXJKAJTZKDDREU-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.25
Rot. Bonds2

About N-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide

N-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide (PubChem CID 54595974) has the molecular formula C7H7BrN2OS and a molecular weight of 247.12 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide
PubChem CID54595974
Molecular FormulaC7H7BrN2OS
Molecular Weight247.12 g/mol
Exact Mass245.95
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncc(Br)s1)C1CC1
InChIInChI=1S/C7H7BrN2OS/c8-5-3-9-7(12-5)10-6(11)4-1-2-4/h3-4H,1-2H2,(H,9,10,11)
InChIKeyMXJKAJTZKDDREU-UHFFFAOYSA-N
XLogP2.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetamido-5-bromo-1,3-thiazole
CID 350260
N-(5-bromo-1,3-thiazol-2-yl)pentanamide
CID 2225496
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 11173072
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 61146667
(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-3-methylbutanamide
CID 61178288
N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide
CID 72947093
N-(2-thiazolyl)cyclopropanecarboxamide
CID 923384
N-(5-cyanothiazol-2-yl)cyclopropanecarboxamide
CID 52417473
N-(5-Bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
CID 21094191
N-(5-fluoro-1,3-thiazol-2-yl)propanamide
CID 126988627
2-bromo-N-(5-fluoro-1,3-thiazol-2-yl)acetamide
CID 156703962

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide (CID 54595974) is N-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide is O=C(Nc1ncc(Br)s1)C1CC1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is MXJKAJTZKDDREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2OS/c8-5-3-9-7(12-5)10-6(11)4-1-2-4/h3-4H,1-2H2,(H,9,10,11).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide?
N-(5-bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 247.12 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 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)cyclopropanecarboxamide is sourced from PubChem (CID 54595974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).