1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one

C7H9NOS2 — CID 43414039

IUPAC1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
SMILESCC(=O)CSc1nc(C)cs1
InChIInChI=1S/C7H9NOS2/c1-5-3-10-7(8-5)11-4-6(2)9/h3H,4H2,1-2H3
InChIKeyYBZZIARKWBWGBO-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.13
Rot. Bonds3

About 1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one

1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one (PubChem CID 43414039) has the molecular formula C7H9NOS2 and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
PubChem CID43414039
Molecular FormulaC7H9NOS2
Molecular Weight187.29 g/mol
Exact Mass187.01
IUPAC Name1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
SMILESCC(=O)CSc1nc(C)cs1
InChIInChI=1S/C7H9NOS2/c1-5-3-10-7(8-5)11-4-6(2)9/h3H,4H2,1-2H3
InChIKeyYBZZIARKWBWGBO-UHFFFAOYSA-N
XLogP2.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one with MolForge

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Related Compounds

sodium 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetate
CID 84818244
N-(4-acetamidophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 4031072
1-(3,5-dimethylpiperidin-1-yl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 4235369
1-carbazol-9-yl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 3437222
N-hexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 47115851
N-(3,5-dichlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532912
potassium trifluoro-[3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]prop-1-en-2-yl]boranuide
CID 106746955
1-(3-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 43226524
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide
CID 63582849
N-[(1S)-1,2-diphenylethyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 8538466
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 4815457
[(3S)-3-cyano-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-4-oxopent-1-en-2-yl]azanium
CID 7042789

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one (CID 43414039) is 1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one is CC(=O)CSc1nc(C)cs1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one?
The InChIKey is YBZZIARKWBWGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS2/c1-5-3-10-7(8-5)11-4-6(2)9/h3H,4H2,1-2H3.
What are the key properties of 1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one?
1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one has a molecular weight of 187.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one is sourced from PubChem (CID 43414039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).