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

C11H10N2O3S — CID 64544117

IUPAC1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C11H10N2O3S/c1-7(14)10-6-17-11(12-10)8-2-4-9(5-3-8)13(15)16/h2-7,14H,1H3
InChIKeyFJEIJSYBZXAFDR-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.77
Rot. Bonds3

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

1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 64544117) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol
PubChem CID64544117
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C11H10N2O3S/c1-7(14)10-6-17-11(12-10)8-2-4-9(5-3-8)13(15)16/h2-7,14H,1H3
InChIKeyFJEIJSYBZXAFDR-UHFFFAOYSA-N
XLogP2.77
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.77
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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Related Compounds

(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 102442271
N-[1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544498
4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-thiazole
CID 107511770
2-[2-methylpropyl-[2-(4-nitrophenyl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 119193459
N-(3-amino-2-methylpropyl)-2-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 119998315
[2-(4-nitrophenyl)-1,3-thiazol-4-yl] formate
CID 174397648
4-methyl-2-[[2-(4-nitrophenyl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119188692
methyl 3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039821
N,N-dimethyl-1-[4-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 5270984
2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine;1-[5-(4-nitrophenyl)-2-pyridinyl]ethanol;tribromophosphane
CID 159812704
1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol
CID 66490091
4-[1-isothiocyanato-2-(4-nitrophenyl)ethyl]-2-phenyl-1,3-thiazole
CID 76580254

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol (CID 64544117) is 1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is FJEIJSYBZXAFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-7(14)10-6-17-11(12-10)8-2-4-9(5-3-8)13(15)16/h2-7,14H,1H3.
What are the key properties of 1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol?
1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 250.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 64544117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).