5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole

C12H18BrNOS — CID 82439049

IUPAC5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole
SMILESCC(C)(C)c1nc(C2CCCO2)sc1CBr
InChIInChI=1S/C12H18BrNOS/c1-12(2,3)10-9(7-13)16-11(14-10)8-5-4-6-15-8/h8H,4-7H2,1-3H3
InChIKeyCPBFTFGBTHVVON-UHFFFAOYSA-N
MW304.25 g/mol
LogP4.19
Rot. Bonds2

About 5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole

5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole (PubChem CID 82439049) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole
PubChem CID82439049
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole
SMILESCC(C)(C)c1nc(C2CCCO2)sc1CBr
InChIInChI=1S/C12H18BrNOS/c1-12(2,3)10-9(7-13)16-11(14-10)8-5-4-6-15-8/h8H,4-7H2,1-3H3
InChIKeyCPBFTFGBTHVVON-UHFFFAOYSA-N
XLogP4.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone
CID 82439059
2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-amine
CID 82429608
2-methyl-N-[[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364662
N-methyl-1-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 65328159
2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetonitrile
CID 82429602
2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 65331290
[2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434676
2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol
CID 82429607
N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362634
N-[[4-cyclopropyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82437005
N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82440933
2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole
CID 58853375

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole (CID 82439049) is 5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole is CC(C)(C)c1nc(C2CCCO2)sc1CBr.
What is the InChIKey of 5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole?
The InChIKey is CPBFTFGBTHVVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-12(2,3)10-9(7-13)16-11(14-10)8-5-4-6-15-8/h8H,4-7H2,1-3H3.
What are the key properties of 5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole?
5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole has a molecular weight of 304.25 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 82439049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).