1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol

C12H12BrNOS2 — CID 66055524

IUPAC1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(CSc2ccc(Br)cc2)s1
InChIInChI=1S/C12H12BrNOS2/c1-8(15)11-6-14-12(17-11)7-16-10-4-2-9(13)3-5-10/h2-6,8,15H,7H2,1H3
InChIKeyMRKYXPNDOXRIDE-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.25
Rot. Bonds4

About 1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol

1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol (PubChem CID 66055524) has the molecular formula C12H12BrNOS2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol
PubChem CID66055524
Molecular FormulaC12H12BrNOS2
Molecular Weight330.27 g/mol
Exact Mass328.95
IUPAC Name1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(CSc2ccc(Br)cc2)s1
InChIInChI=1S/C12H12BrNOS2/c1-8(15)11-6-14-12(17-11)7-16-10-4-2-9(13)3-5-10/h2-6,8,15H,7H2,1H3
InChIKeyMRKYXPNDOXRIDE-UHFFFAOYSA-N
XLogP4.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine
CID 66056314
1-[2-(butan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol
CID 65141390
1-[2-(4-bromophenyl)-1,3-thiazol-5-yl]ethanol
CID 62652128
1-[4-[(5-bromo-2-pyridinyl)methylsulfanyl]phenyl]ethanol
CID 104811538
1-[2-(2-phenylethyl)-1,3-thiazol-5-yl]ethanol
CID 62651396
2-[5-(1-hydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 130942367
1-[2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanamine
CID 66071693
1-[2-[(4-bromophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 66055519
5-bromo-2-[(4-bromophenyl)sulfanylmethyl]pyridine
CID 115622309
[2-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine
CID 66064438
5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole
CID 117188294
1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]ethanol
CID 115090169

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol (CID 66055524) is 1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(CSc2ccc(Br)cc2)s1.
What is the InChIKey of 1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol?
The InChIKey is MRKYXPNDOXRIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS2/c1-8(15)11-6-14-12(17-11)7-16-10-4-2-9(13)3-5-10/h2-6,8,15H,7H2,1H3.
What are the key properties of 1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol?
1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol has a molecular weight of 330.27 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 66055524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).