4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole

C11H10BrNS — CID 58762168

IUPAC4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(Cc2ccc(Br)cc2)cs1
InChIInChI=1S/C11H10BrNS/c1-8-13-11(7-14-8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3
InChIKeyOWYQIAOTJKDNDK-UHFFFAOYSA-N
MW268.18 g/mol
LogP3.80
Rot. Bonds2

About 4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole

4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole (PubChem CID 58762168) has the molecular formula C11H10BrNS and a molecular weight of 268.18 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole
PubChem CID58762168
Molecular FormulaC11H10BrNS
Molecular Weight268.18 g/mol
Exact Mass266.97
IUPAC Name4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(Cc2ccc(Br)cc2)cs1
InChIInChI=1S/C11H10BrNS/c1-8-13-11(7-14-8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3
InChIKeyOWYQIAOTJKDNDK-UHFFFAOYSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diol
CID 79447916
2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 105078985
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
CID 58112094
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 61281443
1-[(4-bromophenyl)methyl]-1,2-dimethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111293197
2-[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 62928440
2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79442011
4-[[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62798238
1-(2,4-dibromophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61282639
2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110312773

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole (CID 58762168) is 4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole is Cc1nc(Cc2ccc(Br)cc2)cs1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is OWYQIAOTJKDNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNS/c1-8-13-11(7-14-8)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of 4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole?
4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 268.18 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 58762168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).