N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide

C8H11BrN2O2S — CID 114309848

IUPACN-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide
SMILESCOCC(Br)CNC(=O)c1cscn1
InChIInChI=1S/C8H11BrN2O2S/c1-13-3-6(9)2-10-8(12)7-4-14-5-11-7/h4-6H,2-3H2,1H3,(H,10,12)
InChIKeyWSBHYSKMFQNLFM-UHFFFAOYSA-N
MW279.16 g/mol
LogP1.28
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide

N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 114309848) has the molecular formula C8H11BrN2O2S and a molecular weight of 279.16 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID114309848
Molecular FormulaC8H11BrN2O2S
Molecular Weight279.16 g/mol
Exact Mass277.97
IUPAC NameN-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide
SMILESCOCC(Br)CNC(=O)c1cscn1
InChIInChI=1S/C8H11BrN2O2S/c1-13-3-6(9)2-10-8(12)7-4-14-5-11-7/h4-6H,2-3H2,1H3,(H,10,12)
InChIKeyWSBHYSKMFQNLFM-UHFFFAOYSA-N
XLogP1.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
CID 114309929
N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038066
N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide
CID 143320313
N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 66106843
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 112689477
3-methyl-4-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 84587793
2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
CID 83205186
N-(2-bromo-3-methoxypropyl)pyridine-4-carboxamide
CID 114310033
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 111662589
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 114304998
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 122556515

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide (CID 114309848) is N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide is COCC(Br)CNC(=O)c1cscn1.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WSBHYSKMFQNLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2S/c1-13-3-6(9)2-10-8(12)7-4-14-5-11-7/h4-6H,2-3H2,1H3,(H,10,12).
What are the key properties of N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide?
N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 279.16 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 114309848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).