5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide

C6H9Br2NS — CID 70095117

IUPAC5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide
SMILESBr.Cc1ncsc1CCBr
InChIInChI=1S/C6H8BrNS.BrH/c1-5-6(2-3-7)9-4-8-5;/h4H,2-3H2,1H3;1H
InChIKeyBHBQCSAJEKMSPN-UHFFFAOYSA-N
MW287.02 g/mol
LogP2.97
Rot. Bonds2

About 5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide

5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide (PubChem CID 70095117) has the molecular formula C6H9Br2NS and a molecular weight of 287.02 g/mol. Its IUPAC name is 5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide
PubChem CID70095117
Molecular FormulaC6H9Br2NS
Molecular Weight287.02 g/mol
Exact Mass284.88
IUPAC Name5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide
SMILESBr.Cc1ncsc1CCBr
InChIInChI=1S/C6H8BrNS.BrH/c1-5-6(2-3-7)9-4-8-5;/h4H,2-3H2,1H3;1H
InChIKeyBHBQCSAJEKMSPN-UHFFFAOYSA-N
XLogP2.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.02
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3-bromopropyl)-4-methyl-1,3-thiazole
CID 71755982
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
CID 66818170
CID 66818170
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
5-(2-azidoethyl)-4-methyl-1,3-thiazole
CID 54670922
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium
CID 66636338

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide?
The IUPAC name of 5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide (CID 70095117) is 5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide.
What is the SMILES notation for 5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide?
The canonical SMILES for 5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide is Br.Cc1ncsc1CCBr.
What is the InChIKey of 5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide?
The InChIKey is BHBQCSAJEKMSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNS.BrH/c1-5-6(2-3-7)9-4-8-5;/h4H,2-3H2,1H3;1H.
What are the key properties of 5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide?
5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide has a molecular weight of 287.02 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide is sourced from PubChem (CID 70095117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).