5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole

C10H15Br2NS — CID 79456438

IUPAC5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole
SMILESCCC(CBr)(CBr)Cc1cnc(C)s1
InChIInChI=1S/C10H15Br2NS/c1-3-10(6-11,7-12)4-9-5-13-8(2)14-9/h5H,3-4,6-7H2,1-2H3
InChIKeyOXRCINKHXGGGLL-UHFFFAOYSA-N
MW341.11 g/mol
LogP4.18
Rot. Bonds5

About 5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole

5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole (PubChem CID 79456438) has the molecular formula C10H15Br2NS and a molecular weight of 341.11 g/mol. Its IUPAC name is 5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole
PubChem CID79456438
Molecular FormulaC10H15Br2NS
Molecular Weight341.11 g/mol
Exact Mass338.93
IUPAC Name5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole
SMILESCCC(CBr)(CBr)Cc1cnc(C)s1
InChIInChI=1S/C10H15Br2NS/c1-3-10(6-11,7-12)4-9-5-13-8(2)14-9/h5H,3-4,6-7H2,1-2H3
InChIKeyOXRCINKHXGGGLL-UHFFFAOYSA-N
XLogP4.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[2,2-bis(bromomethyl)butyl]-2-methyl-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

5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786
5-[2-(bromomethyl)-2-phenylbutyl]-2-methyl-1,3-thiazole
CID 66047850
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
3-[1-bromo-2-(bromomethyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]thiolane 1,1-dioxide
CID 79453275
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 165376869
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
2-methyl-5-(3-methylpentyl)-1,3-thiazole
CID 90806194
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005
O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride
CID 155978412
5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methyl-1,3-thiazole
CID 79446966
5-[2-(2-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-2-methyl-1,3-thiazole
CID 79453857
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]propanimidamide
CID 63176642

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole (CID 79456438) is 5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole is CCC(CBr)(CBr)Cc1cnc(C)s1.
What is the InChIKey of 5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole?
The InChIKey is OXRCINKHXGGGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NS/c1-3-10(6-11,7-12)4-9-5-13-8(2)14-9/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole?
5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole has a molecular weight of 341.11 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 79456438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).