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

C11H10N2O3S — CID 64544321

IUPAC1-[2-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(-c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H10N2O3S/c1-7(14)9-6-17-11(12-9)8-4-2-3-5-10(8)13(15)16/h2-7,14H,1H3
InChIKeySJDFUHJQMOBMKO-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.77
Rot. Bonds3

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

1-[2-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol (PubChem CID 64544321) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-[2-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol
PubChem CID64544321
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name1-[2-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(-c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C11H10N2O3S/c1-7(14)9-6-17-11(12-9)8-4-2-3-5-10(8)13(15)16/h2-7,14H,1H3
InChIKeySJDFUHJQMOBMKO-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

1-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]ethanol
CID 63379311
1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol
CID 64544117
1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 64545128
3-methylsulfanyl-5-(2-nitrophenyl)-1,2,4-thiadiazole
CID 21271843
methyl 5-acetyl-2-(2-nitrophenyl)-1,3-thiazole-4-carboxylate
CID 106696548
ethyl 5-methyl-2-(2-nitrophenyl)-1,3-thiazole-4-carboxylate
CID 116526243
5-(2-nitrophenyl)-1,2,4-thiadiazole
CID 21271844
1-[2-(2-nitrophenyl)-1,3-thiazol-5-yl]ethanone
CID 62652991
2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63561059
1-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 61338780
1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 103083716
2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole
CID 66942360

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol (CID 64544321) is 1-[2-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(-c2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 1-[2-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is SJDFUHJQMOBMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-7(14)9-6-17-11(12-9)8-4-2-3-5-10(8)13(15)16/h2-7,14H,1H3.
What are the key properties of 1-[2-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol?
1-[2-(2-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-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 64544321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).