5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one

C16H10ClNOS — CID 151773454

IUPAC5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one
SMILESO=c1cc(Cl)sn1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C16H10ClNOS/c17-15-9-16(19)18(20-15)14-7-3-6-12-11-5-2-1-4-10(11)8-13(12)14/h1-7,9H,8H2
InChIKeyRTBMYJONMZKYNR-UHFFFAOYSA-N
MW299.78 g/mol
LogP4.12
Rot. Bonds1

About 5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one

5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one (PubChem CID 151773454) has the molecular formula C16H10ClNOS and a molecular weight of 299.78 g/mol. Its IUPAC name is 5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one
PubChem CID151773454
Molecular FormulaC16H10ClNOS
Molecular Weight299.78 g/mol
Exact Mass299.02
IUPAC Name5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one
SMILESO=c1cc(Cl)sn1-c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C16H10ClNOS/c17-15-9-16(19)18(20-15)14-7-3-6-12-11-5-2-1-4-10(11)8-13(12)14/h1-7,9H,8H2
InChIKeyRTBMYJONMZKYNR-UHFFFAOYSA-N
XLogP4.12
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9H-fluoren-1-yl)-1,2-thiazol-3-one
CID 151342567
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(9H-fluoren-1-yl)tetrazole
CID 151624663
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
9H-fluorene;oxophosphane
CID 174601741
CID 123562270
CID 123562270
9,14-bis(9H-fluoren-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 130432276
1-(9H-fluoren-1-yl)anthracene-9,10-dione
CID 141480667
Fluorenylsilane
CID 22104606
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
bis(9H-fluoren-1-yl)mercury
CID 154196677
2-chloro-9H-fluoren-1-amine
CID 150811433

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one?
The IUPAC name of 5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one (CID 151773454) is 5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one.
What is the SMILES notation for 5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one?
The canonical SMILES for 5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one is O=c1cc(Cl)sn1-c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one?
The InChIKey is RTBMYJONMZKYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNOS/c17-15-9-16(19)18(20-15)14-7-3-6-12-11-5-2-1-4-10(11)8-13(12)14/h1-7,9H,8H2.
What are the key properties of 5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one?
5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one has a molecular weight of 299.78 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(9H-fluoren-1-yl)-1,2-thiazol-3-one is sourced from PubChem (CID 151773454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).