5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole

C7H10BrNS2 — CID 117188294

IUPAC5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole
SMILESCC(C)SCc1ncc(Br)s1
InChIInChI=1S/C7H10BrNS2/c1-5(2)10-4-7-9-3-6(8)11-7/h3,5H,4H2,1-2H3
InChIKeyWWQGFILFUAANPH-UHFFFAOYSA-N
MW252.20 g/mol
LogP3.55
Rot. Bonds3

About 5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole

5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole (PubChem CID 117188294) has the molecular formula C7H10BrNS2 and a molecular weight of 252.20 g/mol. Its IUPAC name is 5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole
PubChem CID117188294
Molecular FormulaC7H10BrNS2
Molecular Weight252.20 g/mol
Exact Mass250.94
IUPAC Name5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole
SMILESCC(C)SCc1ncc(Br)s1
InChIInChI=1S/C7H10BrNS2/c1-5(2)10-4-7-9-3-6(8)11-7/h3,5H,4H2,1-2H3
InChIKeyWWQGFILFUAANPH-UHFFFAOYSA-N
XLogP3.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 65131746
5-bromo-2-(3-bromopropyl)-1,3-thiazole
CID 165443494
5-bromo-2-undecyl-1,3-thiazole
CID 147585581
2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole
CID 131207073
2-bromo-5-(propan-2-ylsulfanylmethyl)-1H-imidazole
CID 117191605
5-bromo-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137347275
5-methyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazole
CID 115886779
2-(5-bromo-1,3-thiazol-2-yl)acetic acid
CID 66224113
1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol
CID 65141390
1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol
CID 66055524
1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine
CID 66056314
N-[(5-bromo-1,3-thiazol-2-yl)methyl]-N-methylcyclopropanamine
CID 130660961

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole (CID 117188294) is 5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole is CC(C)SCc1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole?
The InChIKey is WWQGFILFUAANPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNS2/c1-5(2)10-4-7-9-3-6(8)11-7/h3,5H,4H2,1-2H3.
What are the key properties of 5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole?
5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole has a molecular weight of 252.20 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole is sourced from PubChem (CID 117188294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).