4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole

C8H6BrNS2 — CID 81222713

IUPAC4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
SMILESBrCc1csc(-c2ccsc2)n1
InChIInChI=1S/C8H6BrNS2/c9-3-7-5-12-8(10-7)6-1-2-11-4-6/h1-2,4-5H,3H2
InChIKeyPAFLHZODZZMSFR-UHFFFAOYSA-N
MW260.18 g/mol
LogP3.77
Rot. Bonds2

About 4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole

4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole (PubChem CID 81222713) has the molecular formula C8H6BrNS2 and a molecular weight of 260.18 g/mol. Its IUPAC name is 4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
PubChem CID81222713
Molecular FormulaC8H6BrNS2
Molecular Weight260.18 g/mol
Exact Mass258.91
IUPAC Name4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
SMILESBrCc1csc(-c2ccsc2)n1
InChIInChI=1S/C8H6BrNS2/c9-3-7-5-12-8(10-7)6-1-2-11-4-6/h1-2,4-5H,3H2
InChIKeyPAFLHZODZZMSFR-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 53.77
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

4-[[4-(bromomethyl)triazol-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 55071920
2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol
CID 113244476
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 43241285
4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole
CID 119093841
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111448602
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-2-thiophen-3-yl-1,3-thiazole
CID 60916712
(2-amino-2-oxoethyl) 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129066
4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 63873907

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole (CID 81222713) is 4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole is BrCc1csc(-c2ccsc2)n1.
What is the InChIKey of 4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is PAFLHZODZZMSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNS2/c9-3-7-5-12-8(10-7)6-1-2-11-4-6/h1-2,4-5H,3H2.
What are the key properties of 4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole?
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 260.18 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 81222713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).