1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone

C12H10ClNOS2 — CID 66142637

IUPAC1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CSc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10ClNOS2/c1-8(15)11-6-17-12(14-11)7-16-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3
InChIKeyUTWHAOUTFRYZOZ-UHFFFAOYSA-N
MW283.81 g/mol
LogP4.29
Rot. Bonds4

About 1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone

1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 66142637) has the molecular formula C12H10ClNOS2 and a molecular weight of 283.81 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone
PubChem CID66142637
Molecular FormulaC12H10ClNOS2
Molecular Weight283.81 g/mol
Exact Mass282.99
IUPAC Name1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CSc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10ClNOS2/c1-8(15)11-6-17-12(14-11)7-16-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3
InChIKeyUTWHAOUTFRYZOZ-UHFFFAOYSA-N
XLogP4.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone (CID 66142637) is 1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(CSc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is UTWHAOUTFRYZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS2/c1-8(15)11-6-17-12(14-11)7-16-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3.
What are the key properties of 1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone?
1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 283.81 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 66142637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).