N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide

C10H13BrN2OS — CID 114758265

IUPACN-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1(CCBr)CC1)c1cscn1
InChIInChI=1S/C10H13BrN2OS/c11-4-3-10(1-2-10)6-12-9(14)8-5-15-7-13-8/h5,7H,1-4,6H2,(H,12,14)
InChIKeyZNYJOJAQGSOSTI-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.44
Rot. Bonds5

About N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide

N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 114758265) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID114758265
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC NameN-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1(CCBr)CC1)c1cscn1
InChIInChI=1S/C10H13BrN2OS/c11-4-3-10(1-2-10)6-12-9(14)8-5-15-7-13-8/h5,7H,1-4,6H2,(H,12,14)
InChIKeyZNYJOJAQGSOSTI-UHFFFAOYSA-N
XLogP2.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide
CID 95905650
N-(3-fluoro-3-methylcyclobutyl)-1,3-thiazole-4-carboxamide
CID 126791350
N-[2-oxo-2-[(1-propan-2-ylcyclopropyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 137980653
N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 71986121
N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide
CID 95905651
N-(4,4,4-trifluoro-3,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 121537450
1,1-Difluoro-6-(1,3-thiazole-4-carbonyl)-6-azaspiro[2.5]octane
CID 131703371
N-[2-[[1-(fluoromethyl)cyclopropyl]methylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 138005047
N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 13800309
N-butyl-1,3-thiazole-4-carboxamide
CID 57957278
N-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 62044831
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide (CID 114758265) is N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1(CCBr)CC1)c1cscn1.
What is the InChIKey of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZNYJOJAQGSOSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c11-4-3-10(1-2-10)6-12-9(14)8-5-15-7-13-8/h5,7H,1-4,6H2,(H,12,14).
What are the key properties of N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide?
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 289.20 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromoethyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114758265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).