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

C10H8ClNOS2 — CID 130501364

IUPAC2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
SMILESOc1csc(CSc2ccccc2Cl)n1
InChIInChI=1S/C10H8ClNOS2/c11-7-3-1-2-4-8(7)14-6-10-12-9(13)5-15-10/h1-5,13H,6H2
InChIKeyQOSBFBQCZZJOTO-UHFFFAOYSA-N
MW257.77 g/mol
LogP3.79
Rot. Bonds3

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

2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol (PubChem CID 130501364) has the molecular formula C10H8ClNOS2 and a molecular weight of 257.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
PubChem CID130501364
Molecular FormulaC10H8ClNOS2
Molecular Weight257.77 g/mol
Exact Mass256.97
IUPAC Name2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
SMILESOc1csc(CSc2ccccc2Cl)n1
InChIInChI=1S/C10H8ClNOS2/c11-7-3-1-2-4-8(7)14-6-10-12-9(13)5-15-10/h1-5,13H,6H2
InChIKeyQOSBFBQCZZJOTO-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

methyl 2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylate
CID 113306479
4-[2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66153900
2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
CID 130501477
2-[(2-chlorophenyl)sulfanylmethyl]-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456842
3-[2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66153901
2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol
CID 130501476
2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359875
2-[(2-bromophenyl)sulfanylmethyl]-4-(chloromethyl)-1,3-thiazole
CID 66142867
2-[(2-chlorophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838467
[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361556
4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine
CID 66153320
2-[(2-bromophenyl)methyl]-1,3-thiazol-4-ol
CID 130501496

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol (CID 130501364) is 2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol is Oc1csc(CSc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
The InChIKey is QOSBFBQCZZJOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS2/c11-7-3-1-2-4-8(7)14-6-10-12-9(13)5-15-10/h1-5,13H,6H2.
What are the key properties of 2-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol?
2-[(2-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-[(2-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 130501364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).