[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol

C11H10ClFN2OS2 — CID 145181719

IUPAC[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol
SMILESCc1cnc(NSc2cc(Cl)c(CO)cc2F)s1
InChIInChI=1S/C11H10ClFN2OS2/c1-6-4-14-11(17-6)15-18-10-3-8(12)7(5-16)2-9(10)13/h2-4,16H,5H2,1H3,(H,14,15)
InChIKeySNIZZEIFWBBHJY-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.86
Rot. Bonds4

About [2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol

[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol (PubChem CID 145181719) has the molecular formula C11H10ClFN2OS2 and a molecular weight of 304.80 g/mol. Its IUPAC name is [2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol
PubChem CID145181719
Molecular FormulaC11H10ClFN2OS2
Molecular Weight304.80 g/mol
Exact Mass303.99
IUPAC Name[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol
SMILESCc1cnc(NSc2cc(Cl)c(CO)cc2F)s1
InChIInChI=1S/C11H10ClFN2OS2/c1-6-4-14-11(17-6)15-18-10-3-8(12)7(5-16)2-9(10)13/h2-4,16H,5H2,1H3,(H,14,15)
InChIKeySNIZZEIFWBBHJY-UHFFFAOYSA-N
XLogP3.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol?
The IUPAC name of [2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol (CID 145181719) is [2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol.
What is the SMILES notation for [2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol?
The canonical SMILES for [2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol is Cc1cnc(NSc2cc(Cl)c(CO)cc2F)s1.
What is the InChIKey of [2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol?
The InChIKey is SNIZZEIFWBBHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2OS2/c1-6-4-14-11(17-6)15-18-10-3-8(12)7(5-16)2-9(10)13/h2-4,16H,5H2,1H3,(H,14,15).
What are the key properties of [2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol?
[2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol has a molecular weight of 304.80 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-fluoro-4-[(5-methyl-1,3-thiazol-2-yl)amino]sulfanylphenyl]methanol is sourced from PubChem (CID 145181719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).