1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one

C12H9ClFNOS — CID 82092997

IUPAC1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)c1c(F)cccc1Cl
InChIInChI=1S/C12H9ClFNOS/c13-8-2-1-3-9(14)12(8)10(16)4-5-11-15-6-7-17-11/h1-3,6-7H,4-5H2
InChIKeyNVNPCQFNRPXKAL-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.75
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one

1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 82092997) has the molecular formula C12H9ClFNOS and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID82092997
Molecular FormulaC12H9ClFNOS
Molecular Weight269.73 g/mol
Exact Mass269.01
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)c1c(F)cccc1Cl
InChIInChI=1S/C12H9ClFNOS/c13-8-2-1-3-9(14)12(8)10(16)4-5-11-15-6-7-17-11/h1-3,6-7H,4-5H2
InChIKeyNVNPCQFNRPXKAL-UHFFFAOYSA-N
XLogP3.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 114973239
2-chloro-N-cyclopropyl-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 110716155
6-(2-chloro-6-fluorophenyl)-6-oxohexanoic acid
CID 24727139
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
1-(2-chloro-6-fluorophenyl)-4-methoxybutan-1-one
CID 115815531
1-(2,4-dichlorophenyl)-4-(1,3-thiazol-2-yl)butan-1-one
CID 10732947
(2-chloro-6-fluorophenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289794
3-(2-chloro-6-fluorophenyl)-3-oxopropanenitrile
CID 24703509
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 110474816
3-(1,3-thiazol-2-yl)propanamide
CID 45121787
2-(1,3-benzothiazol-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 43118449
2-(4-bromothiophen-2-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 114969456

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one (CID 82092997) is 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nccs1)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is NVNPCQFNRPXKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNOS/c13-8-2-1-3-9(14)12(8)10(16)4-5-11-15-6-7-17-11/h1-3,6-7H,4-5H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one?
1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 269.73 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 82092997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).