5-(3-bromopropyl)-2-methoxy-1,3-thiazole

C7H10BrNOS — CID 130593249

IUPAC5-(3-bromopropyl)-2-methoxy-1,3-thiazole
SMILESCOc1ncc(CCCBr)s1
InChIInChI=1S/C7H10BrNOS/c1-10-7-9-5-6(11-7)3-2-4-8/h5H,2-4H2,1H3
InChIKeySXCODMSQICOHRY-UHFFFAOYSA-N
MW236.13 g/mol
LogP2.48
Rot. Bonds4

About 5-(3-bromopropyl)-2-methoxy-1,3-thiazole

5-(3-bromopropyl)-2-methoxy-1,3-thiazole (PubChem CID 130593249) has the molecular formula C7H10BrNOS and a molecular weight of 236.13 g/mol. Its IUPAC name is 5-(3-bromopropyl)-2-methoxy-1,3-thiazole.

Molecular Properties

Compound Name5-(3-bromopropyl)-2-methoxy-1,3-thiazole
PubChem CID130593249
Molecular FormulaC7H10BrNOS
Molecular Weight236.13 g/mol
Exact Mass234.97
IUPAC Name5-(3-bromopropyl)-2-methoxy-1,3-thiazole
SMILESCOc1ncc(CCCBr)s1
InChIInChI=1S/C7H10BrNOS/c1-10-7-9-5-6(11-7)3-2-4-8/h5H,2-4H2,1H3
InChIKeySXCODMSQICOHRY-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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-1,3-thiazol-5-yl)ethanol
CID 83674256
5-(2-chloroethyl)-2-methoxy-1,3-thiazole
CID 130590548
N-[(2-methoxy-1,3-thiazol-5-yl)methyl]-N-methylhydroxylamine
CID 82598709
2-bromo-5-(3-methoxypropyl)-1,3-thiazole
CID 134456698
5-(cyclopent-3-en-1-ylmethyl)-2-methoxy-1,3-thiazole
CID 164652619
2-(4-bromobutyl)-5-methoxythiophene
CID 22115179
2-bromo-5-(2-methoxyethyl)-1,3-thiazole
CID 117259730
5-(3-bromopropyl)-4-methoxy-1-methylpyrazole
CID 114665346
2-methoxy-5-methyl-1,3-thiazole
CID 12743061
2-methoxy-1,3-thiazol-5-ol
CID 130658802
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091894
5-bromo-2-(3-bromopropyl)-1,3-thiazole
CID 165443494

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromopropyl)-2-methoxy-1,3-thiazole?
The IUPAC name of 5-(3-bromopropyl)-2-methoxy-1,3-thiazole (CID 130593249) is 5-(3-bromopropyl)-2-methoxy-1,3-thiazole.
What is the SMILES notation for 5-(3-bromopropyl)-2-methoxy-1,3-thiazole?
The canonical SMILES for 5-(3-bromopropyl)-2-methoxy-1,3-thiazole is COc1ncc(CCCBr)s1.
What is the InChIKey of 5-(3-bromopropyl)-2-methoxy-1,3-thiazole?
The InChIKey is SXCODMSQICOHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNOS/c1-10-7-9-5-6(11-7)3-2-4-8/h5H,2-4H2,1H3.
What are the key properties of 5-(3-bromopropyl)-2-methoxy-1,3-thiazole?
5-(3-bromopropyl)-2-methoxy-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 5-(3-bromopropyl)-2-methoxy-1,3-thiazole is sourced from PubChem (CID 130593249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).