1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one

C12H10ClNOS2 — CID 61220658

IUPAC1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one
SMILESCC(Sc1nccs1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H10ClNOS2/c1-8(17-12-14-5-6-16-12)11(15)9-3-2-4-10(13)7-9/h2-8H,1H3
InChIKeyRMUYQNAVHPQQOR-UHFFFAOYSA-N
MW283.81 g/mol
LogP4.16
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one

1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one (PubChem CID 61220658) has the molecular formula C12H10ClNOS2 and a molecular weight of 283.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one
PubChem CID61220658
Molecular FormulaC12H10ClNOS2
Molecular Weight283.81 g/mol
Exact Mass282.99
IUPAC Name1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one
SMILESCC(Sc1nccs1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H10ClNOS2/c1-8(17-12-14-5-6-16-12)11(15)9-3-2-4-10(13)7-9/h2-8H,1H3
InChIKeyRMUYQNAVHPQQOR-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 43413967
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3-chlorophenyl)propan-1-one
CID 4035990
2-[1-(3-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-1H-pyrimidin-6-one
CID 43218561
3-chloro-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 110723358
1-(3-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propan-1-one
CID 66127885
1-(3-chlorophenyl)-2-pentylsulfanylpropan-1-one
CID 107752486
N-(2-chloro-4-fluorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propanamide
CID 47365076
1-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfanylpropan-1-one
CID 43232367
methyl 2-[1-(3-chlorophenyl)-1-oxopropan-2-yl]sulfanylacetate
CID 43414133
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
(2S)-1-(3-chlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 2621505
(2R)-1-(3-chlorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 2621507

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one (CID 61220658) is 1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one is CC(Sc1nccs1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one?
The InChIKey is RMUYQNAVHPQQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS2/c1-8(17-12-14-5-6-16-12)11(15)9-3-2-4-10(13)7-9/h2-8H,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one?
1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one has a molecular weight of 283.81 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(1,3-thiazol-2-ylsulfanyl)propan-1-one is sourced from PubChem (CID 61220658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).