4-(dibromomethyl)-2-methyl-1,3-thiazole

C5H5Br2NS — CID 119088205

IUPAC4-(dibromomethyl)-2-methyl-1,3-thiazole
SMILESCc1nc(C(Br)Br)cs1
InChIInChI=1S/C5H5Br2NS/c1-3-8-4(2-9-3)5(6)7/h2,5H,1H3
InChIKeySCZGZXDEZAJOEG-UHFFFAOYSA-N
MW270.98 g/mol
LogP3.24
Rot. Bonds1

About 4-(dibromomethyl)-2-methyl-1,3-thiazole

4-(dibromomethyl)-2-methyl-1,3-thiazole (PubChem CID 119088205) has the molecular formula C5H5Br2NS and a molecular weight of 270.98 g/mol. Its IUPAC name is 4-(dibromomethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(dibromomethyl)-2-methyl-1,3-thiazole
PubChem CID119088205
Molecular FormulaC5H5Br2NS
Molecular Weight270.98 g/mol
Exact Mass268.85
IUPAC Name4-(dibromomethyl)-2-methyl-1,3-thiazole
SMILESCc1nc(C(Br)Br)cs1
InChIInChI=1S/C5H5Br2NS/c1-3-8-4(2-9-3)5(6)7/h2,5H,1H3
InChIKeySCZGZXDEZAJOEG-UHFFFAOYSA-N
XLogP3.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.98
LogP ≤ 53.24
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

2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
CID 58328504
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 124505318
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519
2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 137495706
1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride
CID 122156676
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891275
2-methyl-4-(1-pyrrolidin-1-ylethyl)-1,3-thiazole
CID 130703054
2-methoxy-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 131162743
(2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine
CID 130979013

Frequently Asked Questions

What is the IUPAC name of 4-(dibromomethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(dibromomethyl)-2-methyl-1,3-thiazole (CID 119088205) is 4-(dibromomethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(dibromomethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(dibromomethyl)-2-methyl-1,3-thiazole is Cc1nc(C(Br)Br)cs1.
What is the InChIKey of 4-(dibromomethyl)-2-methyl-1,3-thiazole?
The InChIKey is SCZGZXDEZAJOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2NS/c1-3-8-4(2-9-3)5(6)7/h2,5H,1H3.
What are the key properties of 4-(dibromomethyl)-2-methyl-1,3-thiazole?
4-(dibromomethyl)-2-methyl-1,3-thiazole has a molecular weight of 270.98 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibromomethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 119088205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).