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

C10H8ClNOS2 — CID 130501477

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
SMILESOc1csc(CSc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H8ClNOS2/c11-7-1-3-8(4-2-7)14-6-10-12-9(13)5-15-10/h1-5,13H,6H2
InChIKeyJGINEYJYHFJBNV-UHFFFAOYSA-N
MW257.77 g/mol
LogP3.79
Rot. Bonds3

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

2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol (PubChem CID 130501477) has the molecular formula C10H8ClNOS2 and a molecular weight of 257.77 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
PubChem CID130501477
Molecular FormulaC10H8ClNOS2
Molecular Weight257.77 g/mol
Exact Mass256.97
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
SMILESOc1csc(CSc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H8ClNOS2/c11-7-1-3-8(4-2-7)14-6-10-12-9(13)5-15-10/h1-5,13H,6H2
InChIKeyJGINEYJYHFJBNV-UHFFFAOYSA-N
XLogP3.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
CID 130501476
1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone
CID 66142637
2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
CID 130501364
2-[(4-chlorophenyl)sulfanylmethyl]-4-(3-chloropropyl)-1,3-thiazole
CID 113369420
4-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66144973
methyl 2-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]acetate
CID 80574289
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
CID 1482059
4-[(4-chlorophenyl)sulfanylmethyl]-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazole
CID 4052259
[2-[(3-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]methanol
CID 66146896
2-[(4-chlorophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360231
5-chloro-3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 66144603
[2-[(4-chlorophenyl)sulfanylmethyl]-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82426287

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol (CID 130501477) is 2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol is Oc1csc(CSc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
The InChIKey is JGINEYJYHFJBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS2/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-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol has a molecular weight of 257.77 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 130501477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).