[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol

C10H7F2NS2 — CID 116965891

IUPAC[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol
SMILESFc1ccc(-c2csc(CS)n2)cc1F
InChIInChI=1S/C10H7F2NS2/c11-7-2-1-6(3-8(7)12)9-5-15-10(4-14)13-9/h1-3,5,14H,4H2
InChIKeyUUNXKVULXZEQRR-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.52
Rot. Bonds2

About [4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol

[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol (PubChem CID 116965891) has the molecular formula C10H7F2NS2 and a molecular weight of 243.30 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol
PubChem CID116965891
Molecular FormulaC10H7F2NS2
Molecular Weight243.30 g/mol
Exact Mass243.00
IUPAC Name[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol
SMILESFc1ccc(-c2csc(CS)n2)cc1F
InChIInChI=1S/C10H7F2NS2/c11-7-2-1-6(3-8(7)12)9-5-15-10(4-14)13-9/h1-3,5,14H,4H2
InChIKeyUUNXKVULXZEQRR-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

4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965140
2-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
CID 116965969
2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 60529081
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965872
[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965884
N-[2-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 127048131
2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 83969157
2-amino-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanol
CID 116966829
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965909
1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol
CID 116867993
4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
CID 79839828
2-[4-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 79020489

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol?
The IUPAC name of [4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol (CID 116965891) is [4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol.
What is the SMILES notation for [4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol?
The canonical SMILES for [4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol is Fc1ccc(-c2csc(CS)n2)cc1F.
What is the InChIKey of [4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol?
The InChIKey is UUNXKVULXZEQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NS2/c11-7-2-1-6(3-8(7)12)9-5-15-10(4-14)13-9/h1-3,5,14H,4H2.
What are the key properties of [4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol?
[4-(3,4-difluorophenyl)-1,3-thiazol-2-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 [4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol is sourced from PubChem (CID 116965891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).