1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one

C7H9NOS2 — CID 83876844

IUPAC1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one
SMILESCSc1nc(CC(C)=O)cs1
InChIInChI=1S/C7H9NOS2/c1-5(9)3-6-4-11-7(8-6)10-2/h4H,3H2,1-2H3
InChIKeyLZWZWCVFPKJDOQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.00
Rot. Bonds3

About 1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one

1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one (PubChem CID 83876844) has the molecular formula C7H9NOS2 and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one
PubChem CID83876844
Molecular FormulaC7H9NOS2
Molecular Weight187.29 g/mol
Exact Mass187.01
IUPAC Name1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one
SMILESCSc1nc(CC(C)=O)cs1
InChIInChI=1S/C7H9NOS2/c1-5(9)3-6-4-11-7(8-6)10-2/h4H,3H2,1-2H3
InChIKeyLZWZWCVFPKJDOQ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one
CID 118396881
2-[2-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 60708925
1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890262
2-[2-(3-chloro-2-methylprop-2-enyl)sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 106436708
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890267
1-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890237
2-methylsulfanyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 118787881
1-(2-methylsulfanylpyrimidin-4-yl)propan-2-one
CID 59606606
2-[2-(2-ethyl-2-hydroxybutyl)sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 114491433
1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115089349

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one?
The IUPAC name of 1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one (CID 83876844) is 1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one?
The canonical SMILES for 1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one is CSc1nc(CC(C)=O)cs1.
What is the InChIKey of 1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one?
The InChIKey is LZWZWCVFPKJDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS2/c1-5(9)3-6-4-11-7(8-6)10-2/h4H,3H2,1-2H3.
What are the key properties of 1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one?
1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one has a molecular weight of 187.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanyl-1,3-thiazol-4-yl)propan-2-one is sourced from PubChem (CID 83876844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).