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

C14H16BrNS — CID 113415601

IUPAC2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1csc(Cc2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrNS/c1-14(2,3)12-9-17-13(16-12)8-10-5-4-6-11(15)7-10/h4-7,9H,8H2,1-3H3
InChIKeyCWOHGHAQOAMKIF-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.79
Rot. Bonds2

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

2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole (PubChem CID 113415601) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole
PubChem CID113415601
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1csc(Cc2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrNS/c1-14(2,3)12-9-17-13(16-12)8-10-5-4-6-11(15)7-10/h4-7,9H,8H2,1-3H3
InChIKeyCWOHGHAQOAMKIF-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 64543314
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylaniline
CID 79817942
3-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089233
[2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine
CID 114361104
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyridin-3-ol
CID 83130372
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-fluorobenzaldehyde
CID 79817070
5-[2-[(3-bromophenyl)methyl]-1,3-thiazol-4-yl]furan-3-carboxylic acid
CID 63356069
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946408
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine
CID 79817396
1-(4-bromo-2-methoxyphenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 105016098
5-[(3-bromophenyl)methyl]-3-chloro-1,2,4-thiadiazole
CID 102943987
5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 62066857

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole?
The IUPAC name of 2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole (CID 113415601) is 2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole is CC(C)(C)c1csc(Cc2cccc(Br)c2)n1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole?
The InChIKey is CWOHGHAQOAMKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-14(2,3)12-9-17-13(16-12)8-10-5-4-6-11(15)7-10/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole?
2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole has a molecular weight of 310.26 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazole is sourced from PubChem (CID 113415601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).