[4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol

C10H8N2O3S2 — CID 102771204

IUPAC[4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol
SMILESO=[N+]([O-])c1cnc(Sc2ccc(CO)cc2)s1
InChIInChI=1S/C10H8N2O3S2/c13-6-7-1-3-8(4-2-7)16-10-11-5-9(17-10)12(14)15/h1-5,13H,6H2
InChIKeyRJJZBDVYKUFAJR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.69
Rot. Bonds4

About [4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol

[4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol (PubChem CID 102771204) has the molecular formula C10H8N2O3S2 and a molecular weight of 268.32 g/mol. Its IUPAC name is [4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol
PubChem CID102771204
Molecular FormulaC10H8N2O3S2
Molecular Weight268.32 g/mol
Exact Mass268.00
IUPAC Name[4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol
SMILESO=[N+]([O-])c1cnc(Sc2ccc(CO)cc2)s1
InChIInChI=1S/C10H8N2O3S2/c13-6-7-1-3-8(4-2-7)16-10-11-5-9(17-10)12(14)15/h1-5,13H,6H2
InChIKeyRJJZBDVYKUFAJR-UHFFFAOYSA-N
XLogP2.69
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol?
The IUPAC name of [4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol (CID 102771204) is [4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol.
What is the SMILES notation for [4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol?
The canonical SMILES for [4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol is O=[N+]([O-])c1cnc(Sc2ccc(CO)cc2)s1.
What is the InChIKey of [4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol?
The InChIKey is RJJZBDVYKUFAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S2/c13-6-7-1-3-8(4-2-7)16-10-11-5-9(17-10)12(14)15/h1-5,13H,6H2.
What are the key properties of [4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol?
[4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol has a molecular weight of 268.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol is sourced from PubChem (CID 102771204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).