[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol

C10H7F2NS2 — CID 82422702

IUPAC[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol
SMILESFc1cccc(F)c1-c1ncc(CS)s1
InChIInChI=1S/C10H7F2NS2/c11-7-2-1-3-8(12)9(7)10-13-4-6(5-14)15-10/h1-4,14H,5H2
InChIKeyJEJGTSQRGASUDT-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.52
Rot. Bonds2

About [2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol

[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol (PubChem CID 82422702) has the molecular formula C10H7F2NS2 and a molecular weight of 243.30 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol
PubChem CID82422702
Molecular FormulaC10H7F2NS2
Molecular Weight243.30 g/mol
Exact Mass243.00
IUPAC Name[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol
SMILESFc1cccc(F)c1-c1ncc(CS)s1
InChIInChI=1S/C10H7F2NS2/c11-7-2-1-3-8(12)9(7)10-13-4-6(5-14)15-10/h1-4,14H,5H2
InChIKeyJEJGTSQRGASUDT-UHFFFAOYSA-N
XLogP3.52
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404638
1-[2-(2-bromo-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114887585
2-(2,6-difluorophenyl)-1,3-thiazole-5-carbaldehyde
CID 58504235
N-[[2-(2-fluoro-6-methylsulfanylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113386044
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
N-[[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 55079087
[2-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanethiol
CID 82424310
2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941776
4-[4-[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]phenyl]-1,4-thiazinane 1-oxide
CID 166839576
[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280356
[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280947
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol?
The IUPAC name of [2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol (CID 82422702) is [2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol.
What is the SMILES notation for [2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol?
The canonical SMILES for [2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol is Fc1cccc(F)c1-c1ncc(CS)s1.
What is the InChIKey of [2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol?
The InChIKey is JEJGTSQRGASUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NS2/c11-7-2-1-3-8(12)9(7)10-13-4-6(5-14)15-10/h1-4,14H,5H2.
What are the key properties of [2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol?
[2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol has a molecular weight of 243.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]methanethiol is sourced from PubChem (CID 82422702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).