[2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol

C10H7BrClNOS2 — CID 80692045

IUPAC[2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Sc2cccc(Br)c2)nc1Cl
InChIInChI=1S/C10H7BrClNOS2/c11-6-2-1-3-7(4-6)15-10-13-9(12)8(5-14)16-10/h1-4,14H,5H2
InChIKeyVKYLPYLTWBYFRG-UHFFFAOYSA-N
MW336.66 g/mol
LogP4.20
Rot. Bonds3

About [2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol

[2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol (PubChem CID 80692045) has the molecular formula C10H7BrClNOS2 and a molecular weight of 336.66 g/mol. Its IUPAC name is [2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol
PubChem CID80692045
Molecular FormulaC10H7BrClNOS2
Molecular Weight336.66 g/mol
Exact Mass334.88
IUPAC Name[2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(Sc2cccc(Br)c2)nc1Cl
InChIInChI=1S/C10H7BrClNOS2/c11-6-2-1-3-7(4-6)15-10-13-9(12)8(5-14)16-10/h1-4,14H,5H2
InChIKeyVKYLPYLTWBYFRG-UHFFFAOYSA-N
XLogP4.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol (CID 80692045) is [2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol is OCc1sc(Sc2cccc(Br)c2)nc1Cl.
What is the InChIKey of [2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol?
The InChIKey is VKYLPYLTWBYFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNOS2/c11-6-2-1-3-7(4-6)15-10-13-9(12)8(5-14)16-10/h1-4,14H,5H2.
What are the key properties of [2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol?
[2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol has a molecular weight of 336.66 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)sulfanyl-4-chloro-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).