[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol

C10H8N2O3S — CID 2726663

IUPAC[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(-c2csc(CO)n2)cc1
InChIInChI=1S/C10H8N2O3S/c13-5-10-11-9(6-16-10)7-1-3-8(4-2-7)12(14)15/h1-4,6,13H,5H2
InChIKeyFKDWIHQAMLSHBX-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.21
Rot. Bonds3

About [4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol

[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol (PubChem CID 2726663) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is [4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol
PubChem CID2726663
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(-c2csc(CO)n2)cc1
InChIInChI=1S/C10H8N2O3S/c13-5-10-11-9(6-16-10)7-1-3-8(4-2-7)12(14)15/h1-4,6,13H,5H2
InChIKeyFKDWIHQAMLSHBX-UHFFFAOYSA-N
XLogP2.21
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol (CID 2726663) is [4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol is O=[N+]([O-])c1ccc(-c2csc(CO)n2)cc1.
What is the InChIKey of [4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is FKDWIHQAMLSHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c13-5-10-11-9(6-16-10)7-1-3-8(4-2-7)12(14)15/h1-4,6,13H,5H2.
What are the key properties of [4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol?
[4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 236.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-nitrophenyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 2726663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).