4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione

C19H17NO2S2 — CID 141142112

IUPAC4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione
SMILESOC(Cc1csc(=S)[nH]1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17NO2S2/c21-18(9-12-11-24-19(23)20-12)22-10-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,11,17-18,21H,9-10H2,(H,20,23)
InChIKeyWALFLJJIHDHONZ-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.50
Rot. Bonds5

About 4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione

4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione (PubChem CID 141142112) has the molecular formula C19H17NO2S2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione
PubChem CID141142112
Molecular FormulaC19H17NO2S2
Molecular Weight355.48 g/mol
Exact Mass355.07
IUPAC Name4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione
SMILESOC(Cc1csc(=S)[nH]1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17NO2S2/c21-18(9-12-11-24-19(23)20-12)22-10-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,11,17-18,21H,9-10H2,(H,20,23)
InChIKeyWALFLJJIHDHONZ-UHFFFAOYSA-N
XLogP4.50
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-1,3-thiazol-2-yl]sulfanyl]-2-methylpropanoic acid
CID 141142132
1-(9H-fluoren-9-ylmethoxy)ethanol
CID 143514998
2-(9H-fluoren-9-ylmethoxy)thiophene
CID 57183075
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
ethane;O-(9H-fluoren-9-ylmethyl) methanethioate
CID 155721769
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4,4-dimethylpentanoic acid
CID 147470453
9H-fluoren-9-ylmethyl 2,4-dioxopyrimidine-1-carboxylate
CID 90901938
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
CID 23573686
CID 23573686
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129

Frequently Asked Questions

What is the IUPAC name of 4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione (CID 141142112) is 4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione is OC(Cc1csc(=S)[nH]1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione?
The InChIKey is WALFLJJIHDHONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S2/c21-18(9-12-11-24-19(23)20-12)22-10-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,11,17-18,21H,9-10H2,(H,20,23).
What are the key properties of 4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione?
4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione has a molecular weight of 355.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9H-fluoren-9-ylmethoxy)-2-hydroxyethyl]-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 141142112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).