1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone

C14H9BrN2OS2 — CID 603215

IUPAC1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nc2cccnc2s1)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrN2OS2/c15-10-5-3-9(4-6-10)12(18)8-19-14-17-11-2-1-7-16-13(11)20-14/h1-7H,8H2
InChIKeyYDVHDLKFSOWUKI-UHFFFAOYSA-N
MW365.28 g/mol
LogP4.43
Rot. Bonds4

About 1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone

1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone (PubChem CID 603215) has the molecular formula C14H9BrN2OS2 and a molecular weight of 365.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone
PubChem CID603215
Molecular FormulaC14H9BrN2OS2
Molecular Weight365.28 g/mol
Exact Mass363.93
IUPAC Name1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nc2cccnc2s1)c1ccc(Br)cc1
InChIInChI=1S/C14H9BrN2OS2/c15-10-5-3-9(4-6-10)12(18)8-19-14-17-11-2-1-7-16-13(11)20-14/h1-7H,8H2
InChIKeyYDVHDLKFSOWUKI-UHFFFAOYSA-N
XLogP4.43
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-2-pyrimidin-2-ylsulfanylethanone
CID 4644017
[2-(4-bromophenyl)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 1159318
1-(4-bromophenyl)-2-(thiatriazol-5-ylsulfanyl)ethanone
CID 4187899
2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30399584
1-(4-bromophenyl)-2-[(5,6-dipyridin-2-yl-1,2,4-triazin-3-yl)sulfanyl]ethanone
CID 6492504
1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone
CID 13392863
2-[2-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 24589876
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-phenylethanone
CID 3406773
N-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]phenyl]propanamide
CID 7465319
1-(4-bromophenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone
CID 6411600
2-bromo-N-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 42805848
1-(4-bromophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
CID 603206

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone (CID 603215) is 1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone is O=C(CSc1nc2cccnc2s1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone?
The InChIKey is YDVHDLKFSOWUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2OS2/c15-10-5-3-9(4-6-10)12(18)8-19-14-17-11-2-1-7-16-13(11)20-14/h1-7H,8H2.
What are the key properties of 1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone?
1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone has a molecular weight of 365.28 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone is sourced from PubChem (CID 603215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).