1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

C18H14N2OS2 — CID 3437222

IUPAC1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCc1csc(SCC(=O)n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C18H14N2OS2/c1-12-10-22-18(19-12)23-11-17(21)20-15-8-4-2-6-13(15)14-7-3-5-9-16(14)20/h2-10H,11H2,1H3
InChIKeyLCRYBZNNTIYYBV-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.99
Rot. Bonds3

About 1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (PubChem CID 3437222) has the molecular formula C18H14N2OS2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
PubChem CID3437222
Molecular FormulaC18H14N2OS2
Molecular Weight338.46 g/mol
Exact Mass338.05
IUPAC Name1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
SMILESCc1csc(SCC(=O)n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C18H14N2OS2/c1-12-10-22-18(19-12)23-11-17(21)20-15-8-4-2-6-13(15)14-7-3-5-9-16(14)20/h2-10H,11H2,1H3
InChIKeyLCRYBZNNTIYYBV-UHFFFAOYSA-N
XLogP4.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 43414039
sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
CID 84818244
N-(2,3-dimethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532833
methyl 2-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2533012
1-(3,5-dimethylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 4235369
N-[(3-chlorophenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2497131
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-one
CID 116692221
N-(3,3-diphenylpropyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8002458
1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 43226524
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4031072
methyl (3S)-2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 8894364
N-[(1S)-1,2-diphenylethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8538466

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (CID 3437222) is 1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is Cc1csc(SCC(=O)n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
The InChIKey is LCRYBZNNTIYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS2/c1-12-10-22-18(19-12)23-11-17(21)20-15-8-4-2-6-13(15)14-7-3-5-9-16(14)20/h2-10H,11H2,1H3.
What are the key properties of 1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?
1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone has a molecular weight of 338.46 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 3437222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).