2-bromo-5-(3-methoxypropyl)-1,3-thiazole

C7H10BrNOS — CID 134456698

IUPAC2-bromo-5-(3-methoxypropyl)-1,3-thiazole
SMILESCOCCCc1cnc(Br)s1
InChIInChI=1S/C7H10BrNOS/c1-10-4-2-3-6-5-9-7(8)11-6/h5H,2-4H2,1H3
InChIKeyLUJNDONDFDKLNZ-UHFFFAOYSA-N
MW236.13 g/mol
LogP2.48
Rot. Bonds4

About 2-bromo-5-(3-methoxypropyl)-1,3-thiazole

2-bromo-5-(3-methoxypropyl)-1,3-thiazole (PubChem CID 134456698) has the molecular formula C7H10BrNOS and a molecular weight of 236.13 g/mol. Its IUPAC name is 2-bromo-5-(3-methoxypropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-(3-methoxypropyl)-1,3-thiazole
PubChem CID134456698
Molecular FormulaC7H10BrNOS
Molecular Weight236.13 g/mol
Exact Mass234.97
IUPAC Name2-bromo-5-(3-methoxypropyl)-1,3-thiazole
SMILESCOCCCc1cnc(Br)s1
InChIInChI=1S/C7H10BrNOS/c1-10-4-2-3-6-5-9-7(8)11-6/h5H,2-4H2,1H3
InChIKeyLUJNDONDFDKLNZ-UHFFFAOYSA-N
XLogP2.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.13
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(2-methoxyethyl)-1,3-thiazole
CID 117259730
4-(2-bromo-1,3-thiazol-5-yl)butan-2-one
CID 133063627
5-(3-bromopropyl)-2-methoxy-1,3-thiazole
CID 130593249
2-bromo-5-(2-methylsulfonylethyl)-1,3-thiazole
CID 130153728
4-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]-2-methylsulfanylaniline
CID 142334465
4-(3-methoxypropyl)-1H-pyrazole
CID 90951720
2-bromo-5-(ethylsulfonylmethyl)-1,3-thiazole
CID 117192611
2-bromo-5-(4-methoxybutyl)pyridine
CID 162151692
N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine
CID 89060823
[5-(3-methoxypropoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79763909
2-(2-bromo-1,3-thiazol-5-yl)acetic acid
CID 71721405

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-methoxypropyl)-1,3-thiazole?
The IUPAC name of 2-bromo-5-(3-methoxypropyl)-1,3-thiazole (CID 134456698) is 2-bromo-5-(3-methoxypropyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-(3-methoxypropyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-5-(3-methoxypropyl)-1,3-thiazole is COCCCc1cnc(Br)s1.
What is the InChIKey of 2-bromo-5-(3-methoxypropyl)-1,3-thiazole?
The InChIKey is LUJNDONDFDKLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNOS/c1-10-4-2-3-6-5-9-7(8)11-6/h5H,2-4H2,1H3.
What are the key properties of 2-bromo-5-(3-methoxypropyl)-1,3-thiazole?
2-bromo-5-(3-methoxypropyl)-1,3-thiazole has a molecular weight of 236.13 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-methoxypropyl)-1,3-thiazole is sourced from PubChem (CID 134456698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).