2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol

C10H8FNOS2 — CID 130501476

IUPAC2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
SMILESOc1csc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C10H8FNOS2/c11-7-1-3-8(4-2-7)14-6-10-12-9(13)5-15-10/h1-5,13H,6H2
InChIKeyMQQIXNVDNHOUQM-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.28
Rot. Bonds3

About 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol

2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol (PubChem CID 130501476) has the molecular formula C10H8FNOS2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
PubChem CID130501476
Molecular FormulaC10H8FNOS2
Molecular Weight241.31 g/mol
Exact Mass241.00
IUPAC Name2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
SMILESOc1csc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C10H8FNOS2/c11-7-1-3-8(4-2-7)14-6-10-12-9(13)5-15-10/h1-5,13H,6H2
InChIKeyMQQIXNVDNHOUQM-UHFFFAOYSA-N
XLogP3.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
CID 130501477
2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-ol
CID 130501430
2-[(4-fluorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456938
2-[2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275569
2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
CID 130501364
N-[[4-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841337
5-acetyl-2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid
CID 106696260
1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone
CID 66142637
methyl 2-[(4-fluorophenyl)sulfanylmethyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 113306535
5-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106477027
2-[(4-fluorophenyl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62187505
N-[[2-[(4-fluorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 66065930

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol (CID 130501476) is 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol is Oc1csc(CSc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
The InChIKey is MQQIXNVDNHOUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNOS2/c11-7-1-3-8(4-2-7)14-6-10-12-9(13)5-15-10/h1-5,13H,6H2.
What are the key properties of 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol has a molecular weight of 241.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 130501476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).